SCHEMBL7317769

SCHEMBL7317769

Cn1nnnc1CCCOc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.45
PDE3A Q14432 8/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
PDE5A O76074 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
PTAFR P25105 1/20 0.45
BLM P54132 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE1C Q14123 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD2 P14416 5/20 0.42

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
SCHEMBL7312406 0.89 PDE3B (0.43) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7304090 0.87 KDM4E (0.43) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7341497 0.86 PDE3B (0.43) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7307939 0.84 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7316070 0.83 ALDH1A1 (0.43) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7307393 0.83 PDE3B (0.58) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7310025 0.83 PKM (0.44) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7303943 0.83 ALDH1A1 (0.53) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL7317529 0.82 ALDH1A1 (0.48) KDM4EALDH1A1MEN1HPGDTSHR
SCHEMBL7309366 0.82 HSD11B1 (0.44) PDE3BPDE3AKDM4EALDH1A1CYP1A2

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
JP-56046810-A None JP disclosed
JP-55035019-A None JP disclosed
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed
JP-S5646810-A BLOOD PLATELET COAGULATION INHIBITOR OTSUKA PHARMACEUT CO LTD 1981-04-28 JP disclosed
JP-S5535019-A CARBOSTYRYL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1980-03-11 JP disclosed