SCHEMBL7425776

SCHEMBL7425776

COc1ccccc1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.45
F10 P00742 1/20 0.44
SLC6A12 P48065 1/20 0.44
BRD4 O60885 1/20 0.44
CHRM3 P20309 1/20 0.44
ACKR3 P25106 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR6 P46095 1/20 0.41
RIPK1 Q13546 2/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL7418974 0.87 RIPK1 (0.41) BRD4GPR6RIPK1HSD11B1
SCHEMBL7419869 0.84 MCHR1 (0.49) CCR3F10BRD4CHRM3MEN1
SCHEMBL7418602 0.84 SRC (0.48) F10BRD4
SCHEMBL7424674 0.84 HDAC1 (0.52) CCR3F10BRD4ACKR3
SCHEMBL7420184 0.83 SRC (0.49) F10BRD4RIPK1HSD11B1
SCHEMBL7420641 0.83 BRD4 (0.43) CCR3BRD4RIPK1HSD11B1
SCHEMBL7425782 0.81 FNTA (0.49) F10MEN1KMT2A
SCHEMBL7428971 0.80 BRD4 (0.48) F10BRD4CHRM3ACKR3MEN1
SCHEMBL7423007 0.80 GRM5 (0.52) F10ACKR3RIPK1
SCHEMBL7418733 0.80 CCKBR (0.52) F10SLC6A12BRD4

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