SCHEMBL11277523

SCHEMBL11277523

CC(C)OC1NCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.42
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
DRD1 P21728 4/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
PNMT P11086 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 1/20 0.34

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
SCHEMBL986611 0.83 PRCP (0.60) PRCPHTR2AMAPTMEN1KMT2A
SCHEMBL31121199 0.82 PNMT (0.43) PRCPALDH1A1MAPTDRD1DRD2
SCHEMBL4766983 0.79 ALDH1A1 (0.40) PRCPALDH1A1MAPTDRD1DRD2
SCHEMBL11308321 0.75 ALDH1A1 (0.37) PRCPALDH1A1MAPTPNMTMEN1
SCHEMBL30827217 0.75 ALDH1A1 (0.37) PRCPALDH1A1MAPTPNMTMEN1
SCHEMBL23873992 0.73 PRCP (0.67) PRCPHTR2AALDH1A1MAPTDRD1
SCHEMBL29990541 0.73 PRCP (0.67) PRCPHTR2AALDH1A1MAPTDRD1
SCHEMBL12321732 0.73 PRCP (0.67) PRCPHTR2AALDH1A1MAPTDRD1
SCHEMBL27456289 0.73 SLC6A2 (0.40) PRCPALDH1A1MAPTDRD1DRD2
Formaldehyde SCHEMBL28256666 0.73 MAPK1 (0.36) PRCPALDH1A1MAPTDRD1DRD2

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-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 EP disclosed