SCHEMBL7838567

SCHEMBL7838567

N#Cc1ccc(Cc2cnc(CC3CCNCC3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
KDM1A O60341 12/20 0.43
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 2/20 0.40
MAOB P27338 2/20 0.39
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
AKT1 P31749 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
SCHEMBL3145121 0.76 GBA1 (0.61) HRH3KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL8298485 0.76 BRS3 (0.60) BRS3HRH3
Hydrochloric Acid SCHEMBL4577505 0.75 GBA1 (0.59) HRH3KDM1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL23410114 0.73 GBA1 (0.58) HRH3KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL7919393 0.73 BRS3 (0.62) BRS3HRH3
SCHEMBL8106523 0.73 BRS3 (0.54) BRS3HRH3KDM1AMAOBAKT1
SCHEMBL7841577 0.72 NOS2 (0.47) BRS3KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL8105207 0.72 BRS3 (0.53) BRS3HRH3MAOB
Hydrochloric Acid SCHEMBL8521500 0.72 BRS3 (0.61) BRS3HRH3
SCHEMBL8115077 0.72 BRS3 (0.47) BRS3HRH3

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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP claimed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP claimed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO claimed
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed