SCHEMBL5201390

SCHEMBL5201390

Cc1cc(C(=O)NC(c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)ccc1C(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.52
S1PR1 P21453 1/20 0.52
APLNR P35414 5/20 0.44
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PIN1 Q13526 1/20 0.43
ALOX15 P16050 1/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
APOBEC3A P31941 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
F9 P00740 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14177407 0.95 S1PR3 (0.58) S1PR3S1PR1HRH4HRH3ALOX15
SCHEMBL14177391 0.93 S1PR3 (0.44) S1PR3S1PR1APLNRHRH4HRH3
SCHEMBL3002137 0.93 S1PR3 (0.44) S1PR3S1PR1APLNRHRH4HRH3
SCHEMBL5103713 0.88 S1PR3 (0.49) S1PR3S1PR1HRH4HRH3
SCHEMBL5110271 0.88 S1PR1 (0.42) S1PR3S1PR1HRH4HRH3MEN1
SCHEMBL3000064 0.85 S1PR3 (0.44) S1PR3S1PR1APLNRBRD4BRD2
SCHEMBL14277106 0.85 HRH4 (0.45) S1PR3S1PR1APLNRHRH4HRH3
SCHEMBL14177382 0.85 HRH4 (0.45) S1PR3S1PR1HRH4HRH3PIN1
SCHEMBL14177377 0.84 MEN1 (0.45) S1PR3S1PR1APLNRHRH4HRH3
SCHEMBL5109670 0.84 MEN1 (0.40) S1PR3S1PR1HRH4HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807086-A1 USE OF DIPYRIDAMOLE IN COMBINATION WITH ANTITHROMBOTICS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-07-18 EP disclosed
WO-2006045756-A1 USE OF DIPYRIDAMOLE IN COMBINATION WITH ANTITHROMBOTICS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 WO disclosed