SCHEMBL4670036

SCHEMBL4670036

NC(=O)c1ccc(-n2nnn(CC3CCCC3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.44
PARP10 Q53GL7 4/20 0.44
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
PARP2 Q9UGN5 2/20 0.41
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.37
OPRD1 P41143 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ALPG P10696 1/20 0.36
THRB P10828 1/20 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
SCHEMBL4670468 0.88 PARP15 (0.42) PARP15PARP10NPC1MTORPARP2
SCHEMBL4670081 0.86 ADRB2 (0.42) PARP15PARP10NPC1MTORPARP2
SCHEMBL4677832 0.86 PARP15 (0.43) PARP15PARP10NPC1MTORPARP2
Water SCHEMBL4673066 0.85 ADRB2 (0.41) PARP15PARP10MTORPARP2OPRM1
SCHEMBL4670057 0.85 PARP15 (0.42) PARP15PARP10NPC1MTORPARP2
SCHEMBL4670624 0.85 PARP15 (0.40) PARP15PARP10MTORPARP2OPRM1
Water SCHEMBL4672106 0.85 ADRB2 (0.41) PARP15PARP10MTORPARP2OPRM1
SCHEMBL4670421 0.85 PARP10 (0.42) PARP15PARP10PARP2OPRM1OPRL1
SCHEMBL4670091 0.84 PARP15 (0.41) PARP15PARP10NPC1MTORPARP2
SCHEMBL6301319 0.84 PARP10 (0.41) PARP15PARP10PARP2OPRM1OPRL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed