SCHEMBL18570451

SCHEMBL18570451

C=C(C/C=C(\C)CNC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
GAA P10253 1/20 0.32

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
SCHEMBL9759815 0.78 MAOA (0.44) MAOAMAOBMTNR1AMTNR1B
SCHEMBL1930695 0.78 MAOA (0.63) MAOAMAOBGAA
SCHEMBL4566671 0.71 MAOA (0.44) MAOAMAOB
SCHEMBL24044182 0.69 DEGS1 (0.41) MAOAMAOBMTNR1AMTNR1BGAA
SCHEMBL30680 0.68 MAOA (0.48) MAOAMAOB
SCHEMBL7767040 0.68 MAOA (0.54) MAOAMAOB
SCHEMBL1256493 0.67 MAOA (0.48) MAOAMAOB
SCHEMBL21568847 0.67 RECQL (0.47) MTNR1AMTNR1B
SCHEMBL19983213 0.67 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BGAA
SCHEMBL3031432 0.67 MAOA (0.44) MAOAMAOB

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
EP-2943483-B1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LTD (GB) 2017-03-01 EP disclosed