SCHEMBL7362325

SCHEMBL7362325

N#Cc1cccc(N(CCCCc2ccc(N)cc2)CC(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
F2 P00734 5/20 0.42
PRSS1 P07477 5/20 0.42
PRSS2 P07478 5/20 0.42
PRSS3 P35030 5/20 0.42
FFAR4 Q5NUL3 1/20 0.37
MAOB P27338 2/20 0.36
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
F10 P00742 2/20 0.36
PLG P00747 2/20 0.36
PLAT P00750 2/20 0.36
F7 P08709 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
FAAH O00519 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL7357492 0.91 FFAR1 (0.47) FFAR1F2PRSS1PRSS2PRSS3
SCHEMBL7363865 0.86 KCNH2 (0.47) FFAR1F2PRSS1PRSS2PRSS3
SCHEMBL7368439 0.85 PDCD1 (0.40) FFAR1F2PRSS1PRSS2PRSS3
SCHEMBL7363749 0.82 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL8348245 0.80 FFAR1 (0.42) FFAR1FFAR4MAOBMEP1AMEP1B
SCHEMBL7362467 0.80 FFAR1 (0.53) FFAR1FFAR4MEN1USP2KMT2A
Trifluoroacetic Acid SCHEMBL7362302 0.79 F2 (0.57) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363751 0.79 F2 (0.42) F2PRSS1PRSS2PRSS3MAOB
SCHEMBL7362306 0.78 F2 (0.45) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7450712 0.78 F2 (0.67) F2PRSS1PRSS2PRSS3F10

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