SCHEMBL8683051

SCHEMBL8683051

CN(C)c1ccc(C(=O)OC2CCCCN2Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
OPRD1 P41143 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
BCHE P06276 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL9393233 0.84 NPSR1 (0.48) OPRD1BCHEMEN1KMT2A
SCHEMBL8551932 0.78 BCHE (0.55) ALDH1A1KDM4EMAPTHPGDBCHE
Hydrochloric Acid SCHEMBL8555538 0.77 MEN1 (0.54) ALDH1A1KDM4EMAPTHPGDBCHE
SCHEMBL29014297 0.76 OPRD1 (0.48) OPRD1
SCHEMBL26135660 0.74 SCN1A (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL18832119 0.72 BCHE (0.46) OPRD1BCHE
SCHEMBL11038501 0.72 SCN1A (0.46) OPRD1MEN1KMT2ASCN1ASCN2A
SCHEMBL599342 0.70 SMN1; SMN2 (0.56) ALDH1A1MAPTHPGDSCN1ASCN2A
SCHEMBL2771500 0.70 GBA1 (0.50) OPRD1BCHEMEN1KMT2A
SCHEMBL30339801 0.70 OPRD1 (0.44) OPRD1

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-5753679-A SCIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1998-05-19 US claimed