SCHEMBL8298317

SCHEMBL8298317

N#Cc1ccc(Cc2ncc(CNCCCc3ccccc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.48
OPRM1 P35372 1/20 0.47
BCHE P06276 2/20 0.43
SCN8A Q9UQD0 1/20 0.42
CYP19A1 P11511 1/20 0.42
SIGMAR1 Q99720 5/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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 SCHEMBL8304229 0.99 BRS3 (0.47) BRS3OPRM1BCHESCN8ACYP19A1
SCHEMBL8582845 0.85 SCN8A (0.43) BRS3OPRM1SCN8ACYP19A1
SCHEMBL6165590 0.79 SIGMAR1 (0.64) OPRM1BCHESCN8ASIGMAR1
SCHEMBL7927442 0.79 FNTA (0.46)
SCHEMBL7936033 0.78 KCNH2 (0.48)
SCHEMBL7919393 0.77 BRS3 (0.62) BRS3CYP19A1
SCHEMBL8106049 0.77 BRS3 (0.46) BRS3OPRM1CYP19A1ABCG2
Hydrochloric Acid SCHEMBL8521500 0.76 BRS3 (0.61) BRS3CYP19A1
SCHEMBL7129739 0.73 BRS3 (0.52) BRS3CYP19A1
SCHEMBL10588302 0.73 BRS3 (0.49) BRS3CYP19A1

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-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP claimed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP claimed