SCHEMBL7308692

SCHEMBL7308692

Cn1c(=O)ccc2cc(OCCCc3nnnn3Cc3ccccc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.51
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MAOB P27338 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAOA P21397 1/20 0.39
SRD5A2 P31213 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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 0.89 PDE3B (0.43) KCNA5PDE3BPDE3AALDH1A1KDM4E
SCHEMBL7311363 0.87 KCNA5 (0.41) KCNA5PDE3BPDE3AALDH1A1KDM4E
SCHEMBL7313662 0.87 KCNA5 (0.46) KCNA5PDE3BPDE3AMAOBALDH1A1
SCHEMBL7317323 0.85 KCNA5 (0.45) KCNA5PDE3BPDE3AALDH1A1KDM4E
SCHEMBL7309122 0.84 KCNA5 (0.49) KCNA5MAOBALDH1A1TSHRMEN1
SCHEMBL7318369 0.83 ALDH1A1 (0.43) KCNA5PDE3BPDE3AALDH1A1KDM4E
SCHEMBL7306732 0.80 PDE3B (0.46) KCNA5PDE3BPDE3AALDH1A1TSHR
SCHEMBL7313419 0.80 PDE3B (0.48) PDE3BPDE3AMAOBALDH1A1KDM4E
SCHEMBL7308523 0.78 PDE3B (0.43) KCNA5PDE3BPDE3AALDH1A1KDM4E
SCHEMBL7312711 0.78 ALDH1A1 (0.42) KCNA5PDE3BPDE3AALDH1A1KDM4E

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