SCHEMBL7317323

SCHEMBL7317323

CCn1nnnc1CCCOc1ccc2c(ccc(=O)n2Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.45
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
KMT2A Q03164 1/20 0.40
PLA2G4A P47712 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
PLA2G2A P14555 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 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
SCHEMBL7309212 0.93 PDE3B (0.43) KCNA5PDE3BPDE3AKMT2APLA2G4A
SCHEMBL7312711 0.86 ALDH1A1 (0.42) KCNA5PDE3BPDE3AKMT2APLA2G4A
SCHEMBL7308523 0.85 PDE3B (0.43) KCNA5PDE3BPDE3AKMT2AKDM4E
SCHEMBL7308692 0.85 KCNA5 (0.51) KCNA5PDE3BPDE3AKMT2AKDM4E
SCHEMBL7306355 0.84 KCNA5 (0.40) KCNA5PDE3BPDE3AKMT2AKDM4E
SCHEMBL7313662 0.83 KCNA5 (0.46) KCNA5PDE3BPDE3AKMT2AKDM4E
SCHEMBL7306581 0.83 KCNA5 (0.40) KCNA5KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7311363 0.82 KCNA5 (0.41) KCNA5PDE3BPDE3AKMT2AKDM4E
SCHEMBL7318369 0.82 ALDH1A1 (0.43) KCNA5PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7319555 0.81 PDE3B (0.54) KCNA5PDE3BPDE3AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed