Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5757646

N.O=C(O)c1cccnc1NCC1CCN(c2ccncc2)CC1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.58
ABCB1 P08183 1/20 0.46
KDM4C Q9H3R0 3/20 0.44
KMT2A Q03164 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGB1 P05556 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 2/20 0.43
ITGA5 P08648 2/20 0.43
ITGB5 P18084 2/20 0.43
BDKRB1 P46663 2/20 0.42
GRIN2B Q13224 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
DHODH Q02127 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL496596 0.83 KDM4C (0.54) KDM4CKMT2ABDKRB1DHODH
SCHEMBL5756198 0.82 KDR (0.61) F10ABCB1BDKRB1
Hydrochloric Acid SCHEMBL6890222 0.80 F10 (0.54) F10ABCB1BDKRB1
SCHEMBL6780369 0.80 ABCB1 (0.54) F10ABCB1BDKRB1
SCHEMBL5760386 0.80 F10 (0.72) F10ABCB1KMT2ABDKRB1
Hydrochloric Acid SCHEMBL6773419 0.79 F10 (0.55) F10ABCB1ITGB3ITGB1ITGAV
Hydrochloric Acid SCHEMBL6774426 0.79 F10 (0.53) F10ABCB1BDKRB1
Hydrochloric Acid SCHEMBL6774852 0.79 ABCB1 (0.53) F10ABCB1BDKRB1
SCHEMBL5758848 0.78 F10 (0.53) F10CYP2C9
SCHEMBL5758802 0.77 ABCB1 (0.51) F10ABCB1BDKRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140881-B1 ANTITHROMBOTIC AMIDES LILLY CO ELI (US) 2006-05-17 EP disclosed
US-6780878-B2 ANTICOAGULANTS; CARDIOVASACULAR DISORDERS ELI LILLY AND COMPANY 2004-08-24 US disclosed
US-6716839-B2 INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY 2004-04-06 US disclosed
US-6716855-B2 INHIBITOR OF FACTOR XA; N1-(BENZOYL)-N2-(1-(4-PYRIDYL)PIPERIDIN-4-YL-METHYL)-1,2-BENZENDIAMINE HIGH BIOAVAILABILITY ELI LILLY AND COMPANY 2004-04-06 US disclosed
US-6710057-B2 INHIBITORS OF FACTOR XA, AS ANTICOAGULANTS FOR PROPHYLAXIS AND TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2004-03-23 US disclosed
US-6689780-B1 PYRIDINE DERIVATIVES ELI LILLY AND COMPANY 2004-02-10 US disclosed
US-20030212069-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-11-13 US disclosed
US-20030199504-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 US disclosed
US-20030199505-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 US disclosed
US-20030191153-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-09 US disclosed
US-6610704-B1 Inhibit factor Xa ELI LILLY AND COMPANY 2003-08-26 US disclosed
EP-1140905-B1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030191153-A1 Antithrombotic amides F11, TFPI, SERPINC1 F10 13/4885ABCB1 1732/4885KDM4C 3861/4885
US-20030199504-A1 Antithrombotic amides F11, TFPI, SERPINC1 F10 13/4885ABCB1 1732/4885KDM4C 3861/4885
US-20030212069-A1 Antithrombotic amides F11, TFPI, SERPINC1 F10 13/4885ABCB1 1732/4885KDM4C 3861/4885
US-20030199505-A1 Antithrombotic amides F11, TFPI, SERPINC1 F10 13/4885ABCB1 1732/4885KDM4C 3861/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.