SCHEMBL7440797

SCHEMBL7440797

CCOC(=O)C(c1ccc(NS(C)(=O)=O)cc1)N1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
ADRB1 P08588 7/20 0.39
ADRB3 P13945 7/20 0.39
ADRB2 P07550 6/20 0.39
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.38
NPY2R P49146 1/20 0.38
ESRRG P62508 3/20 0.37
ESRRB O95718 1/20 0.37
ESR1 P03372 1/20 0.37
ESRRA P11474 1/20 0.37

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
SCHEMBL7440788 1.00 HPGD (0.39) HPGDRECQLADRB1ADRB3ADRB2
SCHEMBL7445145 0.89 NPY2R (0.42) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL7449492 0.86 PANK3 (0.42) HPGDRECQLADRB1ADRB3ADRB2
SCHEMBL7441958 0.80 KDM4E (0.48) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL7441963 0.80 KDM4E (0.48) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL7439095 0.80 ITGB3 (0.41) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL7439098 0.80 ITGB3 (0.41) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL7444718 0.80 ITGB3 (0.52) ADRB1ADRB3ADRB2ITGB3ITGA2B
SCHEMBL7436252 0.78 NPY2R (0.49) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL7436257 0.78 NPY2R (0.49) ITGB3ITGA2BMEN1KMT2AALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP claimed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO claimed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed