SCHEMBL7362401

SCHEMBL7362401

N#Cc1ccc(C(=O)CC(CCN2CCCC2)c2cccc(C#N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
CCR2 P41597 1/20 0.44
SLC6A3 Q01959 1/20 0.41
CCR5 P51681 5/20 0.41
POLB P06746 1/20 0.41
OPRK1 P41145 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
USP14 P54578 1/20 0.39
CASR P41180 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL7337418 0.75 KMT2A (0.45) MCHR1TNF
SCHEMBL7362399 0.74 MMP12 (0.43) TNF
SCHEMBL7361691 0.69 MMP12 (0.58) TNF
SCHEMBL8344114 0.68 NPC1 (0.43) CCR2SLC6A3CCR5OPRK1OPRM1
SCHEMBL8797651 0.67 KMT2A (0.49)
SCHEMBL7440867 0.67 HRH3 (0.52) CCR2HTR1ASLC6A4HTR7HRH1
SCHEMBL8344111 0.66 DPP7 (0.48) OPRM1DRD2DRD3HTR1AHTR2A
SCHEMBL10084057 0.66 OPRM1 (0.48) OPRK1OPRM1DRD2DRD3SLC6A4
SCHEMBL7361040 0.65 F10 (0.58)
SCHEMBL7361941 0.65 F10 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed