SCHEMBL7969388

SCHEMBL7969388

O=C1CCCc2cc(OCCCc3c[nH]cn3)ccc21.c1ccc(C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.61
MAOA P21397 10/20 0.61
HRH3 Q9Y5N1 3/20 0.43

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
SCHEMBL4383666 0.91 MAOB (0.62) MAOBMAOAHRH3
SCHEMBL6171707 0.86 MAOB (0.61) MAOBMAOAHRH3
SCHEMBL4382609 0.84 HRH3 (0.56) MAOBMAOAHRH3
SCHEMBL10926632 0.79 HRH3 (0.55) MAOBMAOAHRH3
SCHEMBL4378238 0.78 SMN1; SMN2 (0.50) HRH3
SCHEMBL8574849 0.76 MAOA (0.44) MAOBMAOAHRH3
SCHEMBL4379604 0.75 SMN1; SMN2 (0.47) HRH3
SCHEMBL7698593 0.74 MAOB (0.78) MAOBMAOAHRH3
SCHEMBL948052 0.73 MAOB (0.93) MAOBMAOA
SCHEMBL15839887 0.73 MAOB (1.00) MAOBMAOA

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-6265422-B1 ANTICANCER AGENTS; CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed