SCHEMBL13689398

SCHEMBL13689398

CC(CNC(=O)c1ccc2ccccc2c1)N[C@@H](Cc1ccncc1)C(=O)N(C)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ OPRM1 P35372 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ PIN1 Q13526 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR132 Q9UNW8 1/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ UTS2R Q9UKP6 2/20 0.36
▸ LMNA P02545 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
SCHEMBL13691793 0.84 NPC1 (0.47) NPC1OPRM1RAB9AOPRD1SMN1; SMN2
SCHEMBL13689520 0.78 DRD3 (0.49) NPC1DRD4
SCHEMBL13689525 0.78 DRD3 (0.51) NPC1DRD4
SCHEMBL13689396 0.77 OPRM1 (0.45) NPC1OPRM1RAB9ASMN1; SMN2TMEM97
SCHEMBL13691762 0.76 NPC1 (0.44) NPC1OPRM1RAB9AOPRD1SMN1; SMN2
SCHEMBL13190966 0.73 HPGD (0.47) NPC1OPRM1RAB9AOPRD1SMN1; SMN2
SCHEMBL13691761 0.72 DRD3 (0.43) NPC1OPRM1RAB9AOPRD1SMN1; SMN2
SCHEMBL13188836 0.71 NPC1 (0.46) NPC1OPRM1RAB9AOPRD1SMN1; SMN2
SCHEMBL13691769 0.71 OPRM1 (0.46) NPC1OPRM1RAB9AOPRD1SMN1; SMN2
SCHEMBL13689401 0.70 OPRM1 (0.45) NPC1OPRM1RAB9ASMN1; SMN2TMEM97

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
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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