SCHEMBL10514600

SCHEMBL10514600

Cc1cc2nccn2cc1-c1cc(C#N)c(=O)[nH]c1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 6/20 0.70
PDE4A P27815 2/20 0.70
HPGD P15428 4/20 0.69
BLM P54132 2/20 0.69
HSD17B10 Q99714 2/20 0.69
CYP3A4 P08684 1/20 0.69
NFKB1 P19838 1/20 0.69
PMP22 Q01453 1/20 0.69
KDM4E B2RXH2 5/20 0.50
PDE3B Q13370 5/20 0.50
PDE5A O76074 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE2A O00408 1/20 0.47
PDE1A P54750 1/20 0.47

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
Olprinone SCHEMBL27661 0.82 PDE3A (1.00) PDE3APDE4AHPGDBLMHSD17B10
Olprinone SCHEMBL19205852 0.82 PDE3A (1.00) PDE3APDE4AHPGDBLMHSD17B10
Olprinone SCHEMBL6052374 0.81 HPGD (1.00) PDE3APDE4AHPGDBLMHSD17B10
Olprinone SCHEMBL27901698 0.81 PDE3A (0.98) PDE3APDE4AHPGDBLMHSD17B10
Olprinone SCHEMBL563912 0.81 HPGD (1.00) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL10515680 0.80 PDE3A (0.54) PDE3APDE4AHPGDBLMHSD17B10
Olprinone SCHEMBL931814 0.78 PDE3A (0.90) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL10513117 0.76 PDE3A (0.64) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL12618998 0.74 PDE4A (0.47) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL10514169 0.74 PDE3A (0.61) PDE3APDE4AHPGDBLMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4791203-A CARDIOTONIC AGENTS EISAI CO., LTD. (JP) 1988-12-13 US claimed
EP-0199127-B1 5-(6-imidazo[1,2-a]pyridyl) pyridine derivative Eisai Co., Ltd. (JP) 1989-12-13 EP disclosed
US-4803276-A CARDIOTONIC AGENTS, VASODILATION EISAI CO., LTD. (JP) 1989-02-07 US disclosed
US-4791203-A CARDIOTONIC AGENTS EISAI CO., LTD. (JP) 1988-12-13 US disclosed
US-4791202-A CARDIOTONIC AGENTS; CONGESTIVE HEART FAILURE EISAI CO., LTD. (JP) 1988-12-13 US disclosed
US-4751227-A 3-cyano-5-(6-imidazo[1,2-a]pyridyl)pyridin-2-ols useful as cardiotonics EISAI CO., LTD. (JP) 1988-06-14 US disclosed
EP-0199127-A1 5-(6-imidazo[1,2-a]pyridyl) pyridine derivative Eisai Co., Ltd. (JP) 1986-10-29 EP disclosed