SCHEMBL1901459

SCHEMBL1901459

Cc1ccccc1CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
MCHR1 Q99705 1/20 0.44
LCK P06239 3/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
FURIN P09958 1/20 0.42
MASP2 O00187 3/20 0.42
TACR1 P25103 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP14 P50281 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLKB1 P03952 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL1904838 0.90 TACR1 (0.44) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1902802 0.90 OPRD1 (0.46) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1902805 0.90 OPRD1 (0.46) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1906797 0.90 OPRD1 (0.47) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1906792 0.90 OPRD1 (0.47) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1901386 0.89 MCHR1 (0.46) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1906667 0.89 MCHR1 (0.44) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1906669 0.89 MCHR1 (0.44) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1901384 0.89 MCHR1 (0.46) OPRD1MCHR1LCKCTSSCTSK
SCHEMBL1906017 0.89 NOTUM (0.46) OPRD1MCHR1LCKCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed