SCHEMBL4017971

SCHEMBL4017971

Cc1cc(NC(=O)NCCN2CCC(CCNS(=O)(=O)c3ccccc3)CC2)cc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
CCR3 P51677 3/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
NAMPT P43490 2/20 0.44
CHRM4 P08173 2/20 0.44
MAPT P10636 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL4013470 0.92 ALDH1A1 (0.54) RAB9ACCR3OPRM1OPRK1ALDH1A1
SCHEMBL4016844 0.91 MAPT (0.45) CCR3KMT2AMAPT
SCHEMBL301931 0.82 CACNA1H (0.40) RAB9ACCR3CHRM4MAPT
SCHEMBL3565136 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBNAMPT
SCHEMBL3557299 0.82 CCR3 (0.67) RAB9ACCR3MEN1KMT2APOLB
SCHEMBL3565549 0.81 HTR2A (0.49) MEN1KMT2APOLBNAMPTMAPT
SCHEMBL3565154 0.81 UTS2R (0.46) RAB9ACCR3ALDH1A1MEN1KMT2A
SCHEMBL3564763 0.80 NAMPT (0.47) RAB9ACCR3MEN1KMT2APOLB
SCHEMBL3557010 0.80 CARM1 (0.52) RAB9AALDH1A1MEN1KMT2APOLB
SCHEMBL3559283 0.76 RAB9A (0.44) RAB9ACCR3MEN1KMT2APOLB

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-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP claimed