SCHEMBL7361986

SCHEMBL7361986

COC(=O)C=CCN(CCc1ccc(C#N)cc1)c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
GFER P55789 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SMPD1 P17405 1/20 0.37
RAB9A P51151 1/20 0.37
SNCA P37840 1/20 0.36
HIF1A Q16665 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNN4 O15554 1/20 0.35
KCNA5 P22460 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MEP1A Q16819 1/20 0.34
MEP1B Q16820 1/20 0.34
P4HB P07237 1/20 0.34
MAOB P27338 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
SCHEMBL7361984 1.00 FFAR1 (0.40) FFAR1GFERFFAR4SMPD1RAB9A
SCHEMBL7458452 0.89 KCNH2 (0.44) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL7360649 0.89 KCNH2 (0.44) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL7462659 0.78 FFAR1 (0.44) FFAR1GFERFFAR4SMPD1RAB9A
SCHEMBL7368632 0.77 F2 (0.51)
SCHEMBL7368633 0.76 NR1H4 (0.41)
SCHEMBL7359452 0.75 PDCD1 (0.44) FFAR1GFERFFAR4SMPD1RAB9A
SCHEMBL7359475 0.73 FFAR1 (0.56) FFAR1FFAR4HIF1AMAPTMEN1
SCHEMBL28434520 0.72 LOXL2 (0.43) RAB9ASNCAMAPTMEN1KMT2A
SCHEMBL7459672 0.72 FFAR1 (0.41) FFAR1GFERFFAR4MEN1KMT2A

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