SCHEMBL4737882

SCHEMBL4737882

Cc1nc2c3c(c(C(=O)NC4CC4)cc2n1C)CCC1(Cc2ccccc2C1)O3

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
CRHR1 P34998 1/20 0.34
CRHR2 Q13324 1/20 0.34
TNKS O95271 1/20 0.34
CCR1 P32246 1/20 0.34
RIPK1 Q13546 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4739802 0.89 NPC1 (0.32) RAB9ANPC1CCNA2CDK2CCNA1
SCHEMBL4739132 0.88 KDM4E (0.40) RAB9ANPC1RIPK1KDM4E
SCHEMBL4734073 0.86 CHIA (0.33) RAB9ANPC1LMNACCNA2CDK2
SCHEMBL4738609 0.86 DHODH (0.36) RAB9ANPC1LMNAKMT2AKDM4E
SCHEMBL4739290 0.84 PDE10A (0.33) RAB9ANPC1
SCHEMBL4737853 0.83 PTGES (0.38)
SCHEMBL4782354 0.83 KDM4E (0.32) KMT2AKDM4EALDH1A1
SCHEMBL4737025 0.83 HPGD (0.40) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL5109671 0.82 RORC (0.34) RAB9ANPC1CNR1CNR2KMT2A
SCHEMBL4235330 0.82 HTR4 (0.34) RAB9ANPC1CNR1CNR2CCNA2

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-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed