SCHEMBL6633953

SCHEMBL6633953

N#Cc1ccc2c(c1)CN(C(=O)c1ccco1)C(Cc1ccccc1)CN2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.44
FNTB P49356 8/20 0.44
NAMPT P43490 2/20 0.41
GAA P10253 1/20 0.39
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 1/20 0.38
NR3C1 P04150 1/20 0.37
MGLL Q99685 1/20 0.36
USP2 O75604 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6633950 1.00 FNTA (0.44) FNTAFNTBNAMPTGAACYP2C19
SCHEMBL6637279 0.88 FNTA (0.47) FNTAFNTBNAMPTMGLLALDH1A1
SCHEMBL7688068 0.88 FNTA (0.47) FNTAFNTBNAMPTMGLLALDH1A1
SCHEMBL7679452 0.84 FNTA (0.47) FNTAFNTBNAMPTMGLL
SCHEMBL6617793 0.84 FNTA (0.47) FNTAFNTBNAMPTMGLL
Benzoyl Chloride SCHEMBL6627979 0.84 FNTA (0.44) FNTAFNTBNAMPTMGLLALDH1A1
SCHEMBL5788241 0.82 FNTA (0.47) FNTAFNTBNAMPTMGLL
SCHEMBL5788247 0.82 FNTA (0.47) FNTAFNTBNAMPTMGLL
SCHEMBL6619143 0.80 FNTA (0.49) FNTAFNTBMAPK1MGLL
SCHEMBL6634181 0.80 FNTA (0.49) FNTAFNTBMAPK1MGLL

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 3 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
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