SCHEMBL7309768

SCHEMBL7309768

O=c1ccc2cc(OCCCc3nnnn3Cc3cc(Cl)cc(Cl)c3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.40
PDE3A Q14432 5/20 0.40
ALDH1A1 P00352 14/20 0.40
KDM4E B2RXH2 13/20 0.40
MAPT P10636 7/20 0.40
TSHR P16473 6/20 0.40
HSD17B10 Q99714 5/20 0.40
HPGD P15428 4/20 0.40
KCNH2 Q12809 1/20 0.38
GAA P10253 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
PDE5A O76074 1/20 0.38
PTAFR P25105 1/20 0.38
BLM P54132 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PMP22 Q01453 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
SCHEMBL7318076 0.93 KCNH2 (0.42) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL7313419 0.90 PDE3B (0.48) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL7317529 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL7312406 0.84 PDE3B (0.43) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL7307939 0.83 PDE3B (0.41) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL7304090 0.82 KDM4E (0.43) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL7303943 0.82 ALDH1A1 (0.53) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL7307423 0.81 ALDH1A1 (0.40) PDE3BPDE3AALDH1A1KDM4EMAPT
SCHEMBL7307849 0.81 KCNH2 (0.47) PDE3BPDE3AALDH1A1KDM4ETSHR
SCHEMBL7347245 0.80 ALDH1A1 (0.48) PDE3BPDE3AALDH1A1KDM4EMAPT

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