SCHEMBL19496931

SCHEMBL19496931

CN(C)Cc1cccc(-c2ccc(C(=O)N3CCC(CO)CC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.56
▸ HTR2B P41595 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LSS P48449 1/20 0.44

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
SCHEMBL11363837 0.89 AOC3 (0.74) AOC3
SCHEMBL12814196 0.87 AOC3 (0.60) AOC3
SCHEMBL8157501 0.81 SMN1; SMN2 (0.65) HTR2BHTR1AHTR1BHTR2AHTR2C
SCHEMBL11360718 0.81 AOC3 (0.54) AOC3HTR2BHTR1AHTR1BHTR2A
SCHEMBL13952158 0.81 HSD11B1 (0.54) HTR2BSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11363882 0.81 AOC3 (0.71) AOC3
SCHEMBL19496930 0.78 AOC3 (0.52) AOC3HRH3POLBSMN1; SMN2ALDH1A1
SCHEMBL11367453 0.78 AOC3 (0.76) AOC3
SCHEMBL11363836 0.77 AOC3 (0.66) AOC3
SCHEMBL11366262 0.77 AOC3 (0.75) 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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