Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3761911

CC(CCN)N1CCC(N[C@@H](CN2C(=O)c3ccccc3C2=O)c2ccccc2)CC1.N

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
CCR5 P51681 3/20 0.35
KCNH2 Q12809 1/20 0.35
HTR7 P34969 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 2/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM1A O60341 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL3761913 1.00 HTR1A (0.36) HTR1ACCR5KCNH2HTR7DRD2
SCHEMBL3763337 0.80 CCR5 (0.39) CCR5KCNH2GAA
SCHEMBL3755795 0.75 CCR5 (0.59) CCR5
SCHEMBL4610073 0.73 BRD4 (0.51) ALDH1A1
SCHEMBL10722361 0.66 KMT2A (0.50) KMT2AALDH1A1NPSR1
SCHEMBL14928651 0.66 KMT2A (0.50) KMT2AALDH1A1NPSR1
SCHEMBL6556286 0.66 KMT2A (0.50) KMT2AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL9845767 0.65 ELANE (0.46) DRD3KMT2AMAOBALDH1A1
SCHEMBL10625060 0.64 GAA (0.51) KMT2AGAA
SCHEMBL14432037 0.64 LMNA (0.48) CCR5DRD2DRD3MAOBALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 HTR1A 2939/4885CCR5 1/4885KCNH2 4679/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 HTR1A 2939/4885CCR5 1/4885KCNH2 4679/4885

“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.