SCHEMBL19496801

SCHEMBL19496801

Cc1cccnc1N1CCN(c2ccc(-c3cccc(CN(C)C)c3)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 12/20 0.59
▸ CNR2 P34972 2/20 0.46
▸ SMO Q99835 1/20 0.45
▸ TNKS O95271 1/20 0.41
▸ NTRK1 P04629 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL11362192 0.86 AOC3 (0.82) AOC3
Hydrochloric Acid SCHEMBL10318458 0.85 AOC3 (0.81) AOC3
Hydrochloric Acid SCHEMBL10318459 0.85 AOC3 (0.63) AOC3
SCHEMBL19496818 0.84 AOC3 (0.52) AOC3CNR2SMOTNKS
SCHEMBL19497006 0.80 NTRK1 (0.53) AOC3CNR2SMONTRK1
SCHEMBL19496809 0.77 DGAT1 (0.50) AOC3CNR2SMONTRK1
SCHEMBL19496527 0.77 AOC3 (0.53) AOC3ALDH1A1KDM4E
SCHEMBL19496981 0.76 AOC3 (0.49) AOC3CNR2SMO
SCHEMBL19496747 0.76 AOC3 (0.58) AOC3
SCHEMBL19496539 0.75 AOC3 (0.60) AOC3

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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