SCHEMBL7308523

SCHEMBL7308523

O=c1ccc2cc(OCCCc3nnnn3CC3CCCCC3)ccc2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.43
PDE3A Q14432 7/20 0.43
P2RY12 Q9H244 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
ABCC4 O15439 1/20 0.39
CACNA1F O60840 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
OPRK1 P41145 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CACNA1D Q01668 1/20 0.39

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 0.88 PDE3B (0.43) PDE3BPDE3AALDH1A1TSHRMEN1
SCHEMBL7319555 0.87 PDE3B (0.54) PDE3BPDE3AP2RY12ALDH1A1TSHR
SCHEMBL7317323 0.85 KCNA5 (0.45) PDE3BPDE3AALDH1A1TSHRCYP1A2
SCHEMBL7306732 0.85 PDE3B (0.46) PDE3BPDE3AP2RY12ALDH1A1TSHR
SCHEMBL7312280 0.82 PDE3B (0.46) PDE3BPDE3AP2RY12ALDH1A1TSHR
SCHEMBL7312711 0.81 ALDH1A1 (0.42) PDE3BPDE3AALDH1A1TSHRMEN1
SCHEMBL7319922 0.79 PDE3B (0.52) PDE3BPDE3AP2RY12ALDH1A1TSHR
SCHEMBL7308692 0.78 KCNA5 (0.51) PDE3BPDE3AALDH1A1TSHRMEN1
SCHEMBL7302908 0.77 PDE3B (0.53) PDE3BPDE3AP2RY12ALDH1A1TSHR
SCHEMBL7315971 0.76 PDE3B (0.52) PDE3BPDE3AP2RY12ALDH1A1TSHR

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