SCHEMBL7679452

SCHEMBL7679452

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.47
FNTB P49356 7/20 0.47
PARP1 P09874 1/20 0.41
MC4R P32245 2/20 0.39
MC3R P41968 2/20 0.39
MC1R Q01726 2/20 0.39
RORC P51449 2/20 0.39
LMNA P02545 1/20 0.38
MGLL Q99685 1/20 0.38
NAMPT P43490 1/20 0.38
NR3C2 P08235 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL6617793 1.00 FNTA (0.47) FNTAFNTBPARP1MC4RMC3R
SCHEMBL5788247 0.89 FNTA (0.47) FNTAFNTBMGLLNAMPTNR3C2
SCHEMBL5788241 0.89 FNTA (0.47) FNTAFNTBMGLLNAMPTNR3C2
SCHEMBL7688068 0.88 FNTA (0.47) FNTAFNTBMGLLNAMPTNR3C2
SCHEMBL6637279 0.88 FNTA (0.47) FNTAFNTBMGLLNAMPTNR3C2
SCHEMBL6633950 0.84 FNTA (0.44) FNTAFNTBMGLLNAMPT
SCHEMBL6633953 0.84 FNTA (0.44) FNTAFNTBMGLLNAMPT
SCHEMBL6619143 0.84 FNTA (0.49) FNTAFNTBMGLLDPP4
Benzoyl Chloride SCHEMBL6627979 0.84 FNTA (0.44) FNTAFNTBMGLLNAMPTNR3C2
SCHEMBL6634181 0.84 FNTA (0.49) FNTAFNTBMGLLDPP4

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
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