SCHEMBL4737057

SCHEMBL4737057

Cc1nc2c3c(c(C(=O)NCCO)cc2n1C)CCC1(CCc2ccccc21)O3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.36
OPRK1 P41145 3/20 0.36
CDK2 P24941 2/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ACSS2 Q9NR19 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
AURKA O14965 1/20 0.31

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
SCHEMBL4738895 0.92 KMT2A (0.36) OPRL1OPRK1KDM4EALDH1A1MEN1
SCHEMBL4740444 0.86 HCAR2 (0.34) ALDH1A1
SCHEMBL4734328 0.85 CCNC (0.32) ALDH1A1
SCHEMBL4737642 0.84 NPY5R (0.37) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4735029 0.84 NPY5R (0.33) KDM4EALDH1A1
SCHEMBL4737821 0.83 CYP26A1 (0.39)
SCHEMBL4738064 0.81 AVPR1A (0.34) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4737833 0.81 BRD4 (0.31)
SCHEMBL4783797 0.81 RORC (0.38) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL4739249 0.81 PIN1 (0.31)

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