SCHEMBL7293203

SCHEMBL7293203

[CH2]CC(C#N)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
POLB P06746 1/20 0.38
ANPEP P15144 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
ERAP2 Q6P179 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ACP3 P15309 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL7289345 0.87 CTSC (0.38) CTSCCTSLCTSBCTSSCTSK
SCHEMBL5006472 0.78 CTSC (0.43) CTSCCTSLCTSSPOLBCYP1A2
SCHEMBL18723421 0.77 SLC6A2 (0.50) CTSCPOLBALDH1A1TAAR1CYP1A2
SCHEMBL7285974 0.76 MAOA (0.42) CTSCPOLBANPEPERAP1ERAP2
SCHEMBL11211213 0.75 L3MBTL1 (0.46) CTSCALDH1A1SMN1; SMN2
SCHEMBL16113968 0.74 MPO (0.45) CTSCPOLBTAAR1
SCHEMBL5774965 0.72 CTSC (0.48) CTSCPOLBANPEPERAP1ERAP2
SCHEMBL2163440 0.72 CTSC (0.44) CTSCANPEPERAP1ERAP2ACP3
SCHEMBL11858643 0.72 SLC6A4 (0.41) CTSCCTSLCTSBCTSSCTSK
SCHEMBL13900603 0.72 POLB (0.47) CTSCPOLBALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed