SCHEMBL6615323

SCHEMBL6615323

Cc1cccc2c1NCCNC2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.41
PNMT P11086 2/20 0.41
MAOB P27338 1/20 0.41
HTR5A P47898 1/20 0.39
CD274 Q9NZQ7 1/20 0.37
HTR2C P28335 5/20 0.36
RYR2 Q92736 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2B P41595 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
SCHEMBL16006721 0.82 HTR5A (0.40) CD44PNMTMAOBHTR5ACD274
SCHEMBL20939529 0.81
SCHEMBL1870062 0.78 PARP10 (0.43) CD44PNMTMAOBHTR5AHTR2C
SCHEMBL7480366 0.77 CD44 (0.55) CD44PNMTMAOBHTR2CRYR2
SCHEMBL27380732 0.77 CD44 (0.41) CD44PNMTMAOBHTR5AHTR2C
SCHEMBL342322 0.74 SRC (0.49) HTR5A
SCHEMBL15946718 0.73 SRC (0.44) HTR5AHTR2CHTR2B
SCHEMBL19657537 0.71 CREBBP (0.40) HTR5AHTR2C
SCHEMBL31357070 0.71 CREBBP (0.40) HTR5AHTR2C
SCHEMBL7341154 0.71 CD44 (0.61) CD44PNMTMAOBCD274HTR2C

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-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed