SCHEMBL7419869

SCHEMBL7419869

COc1cccc(C(=O)N[C@H]2CCN(Cc3cccc(C#N)c3)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.49
ALDH1A1 P00352 2/20 0.49
F10 P00742 5/20 0.49
F2 P00734 3/20 0.49
ROCK2 O75116 1/20 0.49
CCR3 P51677 1/20 0.47
DRD4 P21917 1/20 0.47
PLG P00747 1/20 0.47
PROC P04070 1/20 0.47
PRSS1 P07477 1/20 0.47
BRD4 O60885 1/20 0.47
SRC P12931 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
CHRM3 P20309 1/20 0.44

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
SCHEMBL7418602 0.93 SRC (0.48) F10F2PLGPROCPRSS1
SCHEMBL7428971 0.89 BRD4 (0.48) ALDH1A1F10F2DRD4BRD4
SCHEMBL7424674 0.88 HDAC1 (0.52) F10CCR3BRD4SRC
SCHEMBL7421293 0.88 BRD4 (0.47) MCHR1F10PLGPROCBRD4
SCHEMBL7423020 0.87 CCR3 (0.46) CCR3BRD4MEN1KMT2ACHRM3
SCHEMBL7418733 0.86 CCKBR (0.52) F10DRD4PLGPROCBRD4
SCHEMBL7420184 0.86 SRC (0.49) MCHR1F10F2BRD4SRC
SCHEMBL7425776 0.84 CCR3 (0.45) F10CCR3BRD4MEN1KMT2A
SCHEMBL7419872 0.84 FNTA (0.51) MCHR1ALDH1A1F10F2PLG
SCHEMBL7417098 0.84 ROCK2 (0.47) F10F2ROCK2BRD4SRC

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
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed