SCHEMBL8305740

SCHEMBL8305740

N#Cc1ccc(Cc2cnc(Cc3ccc(-c4ccccc4CN)cc3)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 16/20 0.59
HRH3 Q9Y5N1 1/20 0.40
DPP4 P27487 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADRA2C P18825 1/20 0.38

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
Hydrochloric Acid SCHEMBL8572447 0.99 BRS3 (0.58) BRS3HRH3DPP4CYP11B1CYP11B2
SCHEMBL8107240 0.89 BRS3 (0.62) BRS3
SCHEMBL8105079 0.85 BRS3 (0.58) BRS3
SCHEMBL8104996 0.85 BRS3 (0.62) BRS3HRH3CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8308941 0.84 BRS3 (0.58) BRS3
SCHEMBL8112630 0.84 BRS3 (0.55) BRS3HRH3
SCHEMBL8110713 0.84 BRS3 (0.57) BRS3
Hydrochloric Acid SCHEMBL8307429 0.84 BRS3 (0.61) BRS3HRH3CYP11B1CYP11B2
SCHEMBL7927590 0.84 BRS3 (0.61) BRS3HRH3
SCHEMBL8097346 0.84 BRS3 (0.61) BRS3HRH3CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed