SCHEMBL7361738

SCHEMBL7361738

COC(=O)CN(CCc1ccccc1Br)c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
PRSS1 P07477 6/20 0.42
PRSS2 P07478 6/20 0.42
PRSS3 P35030 6/20 0.42
F10 P00742 2/20 0.40
PLG P00747 2/20 0.40
PLAT P00750 2/20 0.40
F7 P08709 2/20 0.40
TAAR1 Q96RJ0 1/20 0.37
KCNN4 O15554 1/20 0.37
KCNA5 P22460 1/20 0.37
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37
MCHR1 Q99705 1/20 0.36
GFER P55789 1/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PTGER1 P34995 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7361741 0.75 KCNN4 (0.40) PRSS1TAAR1KCNN4KCNA5FFAR1
SCHEMBL7361441 0.75 FFAR1 (0.44) KCNN4KCNA5GFERFFAR1FFAR4
SCHEMBL7359452 0.73 PDCD1 (0.44) F2PRSS1PRSS2PRSS3KCNN4
SCHEMBL7368049 0.72 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL7462659 0.72 FFAR1 (0.44) F2PRSS1PRSS2PRSS3F10
SCHEMBL7464051 0.70 PDCD1 (0.42) F2PRSS1PRSS2PRSS3KCNN4
SCHEMBL7056650 0.70 KCNN4 (0.45) KCNN4KCNA5MEP1AMEP1BMCHR1
SCHEMBL7459672 0.69 FFAR1 (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL8113653 0.69 ALDH1A1 (0.44) KCNN4KCNA5MEP1AMEP1BMCHR1
SCHEMBL4269765 0.68 ALDH1A1 (0.48) ALDH1A1MAPK1

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-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
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