SCHEMBL3987614

SCHEMBL3987614

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.62
CTSL P07711 2/20 0.62
CTSK P43235 2/20 0.62
ITGB3 P05106 9/20 0.59
ITGA2B P08514 9/20 0.59
TACR1 P25103 2/20 0.59
TGM2 P21980 1/20 0.58
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
MGLL Q99685 1/20 0.55
ITGAV P06756 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
GPR34 Q9UPC5 1/20 0.53

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
SCHEMBL4368353 1.00 FPR2 (0.62) FPR2CTSLCTSKITGB3ITGA2B
SCHEMBL479010 0.88 TACR1 (0.68) CTSLCTSKITGB3ITGA2BTACR1
SCHEMBL220648 0.88 TACR1 (0.68) CTSLCTSKITGB3ITGA2BTACR1
SCHEMBL7372270 0.88 TACR1 (0.68) CTSLCTSKITGB3ITGA2BTACR1
SCHEMBL219151 0.88 TACR1 (0.68) CTSLCTSKITGB3ITGA2BTACR1
SCHEMBL26661077 0.88 TACR1 (0.68) CTSLCTSKITGB3ITGA2BTACR1
SCHEMBL1795688 0.88 TGM2 (0.60) FPR2CTSLCTSKITGB3ITGA2B
SCHEMBL19401964 0.88 ITGB3 (0.65) CTSLCTSKITGB3ITGA2BTACR1
SCHEMBL14485683 0.86 ITGB3 (0.67) ITGB3ITGA2BITGAVGPR34
SCHEMBL14485681 0.86 ITGB3 (0.67) ITGB3ITGA2BITGAVGPR34

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
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
CN-101267813-A Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO CO LTD (JP) 2008-09-17 CN disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed