SCHEMBL7306995

SCHEMBL7306995

O=C1CCc2ccc(OCCCc3nnnn3-c3ccccc3)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.64
MAOA P21397 17/20 0.64
DRD2 P14416 1/20 0.57
MEN1 O00255 1/20 0.52
ABCC4 O15439 1/20 0.52
CACNA1F O60840 1/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
OPRK1 P41145 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
CACNA1D Q01668 1/20 0.52

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
SCHEMBL7309989 0.92 MAOA (0.64) MAOBMAOADRD2MEN1ABCC4
SCHEMBL7310807 0.85 MAOB (0.69) MAOBMAOADRD2MEN1ABCC4
SCHEMBL7317785 0.79 P2RX4 (0.41) MAOBMAOAMEN1ABCC4CACNA1F
SCHEMBL7318751 0.79 PDE3B (0.81) MAOBMAOAMEN1ABCC4CACNA1F
SCHEMBL7309846 0.78 MAOA (0.69) MAOBMAOADRD2MEN1ABCC4
SCHEMBL12116425 0.76 PDE3B (0.86) MAOBMAOAMEN1ABCC4CACNA1F
SCHEMBL2842062 0.75 MAOB (0.80) MAOBMAOADRD2
SCHEMBL7313754 0.75 MAOB (0.65) MAOBMAOADRD2
SCHEMBL7306011 0.75 PDE3B (0.65) MAOBMAOADRD2MEN1ABCC4
SCHEMBL7310025 0.74 PKM (0.44) MAOBDRD2MEN1ALDH1A1LMNA

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