SCHEMBL7294079

SCHEMBL7294079

CCNCCCCCC=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KDM1A O60341 5/20 0.56
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
FAAH O00519 2/20 0.50
TRPV1 Q8NER1 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
ADH1B P00325 3/20 0.46
ADH1A P07327 3/20 0.46
ADH7 P40394 3/20 0.46
ADH1C P00326 2/20 0.46
EPHX1 P07099 1/20 0.46
ADH4 P08319 1/20 0.46
HIF1A Q16665 1/20 0.43

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
SCHEMBL19043289 1.00 TSHR (0.56) TSHRKDM1ACYP2C19CYP1A2FAAH
SCHEMBL7674603 0.97
SCHEMBL7674534 0.90
SCHEMBL25124085 0.83 TSHR (0.61) TSHRFAAHTRPV1ADH1BADH1A
SCHEMBL25274699 0.83 TSHR (0.76) TSHRFAAHTRPV1ADH1BADH1A
SCHEMBL25093179 0.83 TSHR (0.76) TSHRFAAHTRPV1ADH1BADH1A
SCHEMBL3022776 0.83 TSHR (0.76) TSHRFAAHTRPV1ADH1BADH1A
SCHEMBL25093248 0.83 TSHR (0.76) TSHRFAAHTRPV1ADH1BADH1A
SCHEMBL5746752 0.82 ADH1B (0.68) TSHRKDM1ACYP2C19CYP1A2MEN1
SCHEMBL331498 0.81 CYP2C19 (0.80) TSHRKDM1ACYP2C19CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021178510-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ORNITHINE TRANSCARBAMYLASE DEFICIENCY ARCTURUS THERAPEUTICS, INC. (US) 2021-09-10 WO disclosed
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 US disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0490259-A2 Aminoacid and peptid derivatives with renin inhibiting properties MERCK PATENT GmbH (DE) 1992-06-17 EP disclosed
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0474008-A1 Amino acid derivatives MERCK PATENT GmbH (DE) 1992-03-11 EP disclosed
EP-0464517-A2 Amino acid derivatives with renin inhibiting activity MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed