SCHEMBL19496809

SCHEMBL19496809

CN(C)Cc1cccc(-c2ccc(N3CCC(c4ccccn4)CC3)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.50
▸ AOC3 Q16853 7/20 0.44
▸ CNR2 P34972 2/20 0.42
▸ AVPR1A P37288 6/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SMO Q99835 1/20 0.40
▸ NTRK1 P04629 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
SCHEMBL11362888 0.86 AOC3 (0.64) AOC3
SCHEMBL19496981 0.84 AOC3 (0.49) AOC3CNR2AVPR1ASMO
Cadaverine Tartrate SCHEMBL10320476 0.81 AOC3 (0.59) AOC3
Cadaverine Tartrate SCHEMBL10320477 0.81 AOC3 (0.72) DGAT1AOC3
SCHEMBL19496818 0.80 AOC3 (0.52) AOC3CNR2SMO
SCHEMBL19497006 0.78 NTRK1 (0.53) AOC3CNR2SMONTRK1
SCHEMBL19496527 0.78 AOC3 (0.53) AOC3
SCHEMBL19496801 0.77 AOC3 (0.59) AOC3CNR2SMONTRK1
SCHEMBL11362146 0.76 AOC3 (0.75) AOC3
SCHEMBL19496775 0.75 AOC3 (0.59) AOC3CNR2SMO

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-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
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