SCHEMBL9719472

SCHEMBL9719472

CC[C@@]1(O)CCN(Cc2ccccc2)C[C@@H]1CC=C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
OPRL1 P41146 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 4/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CCR3 P51677 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CHRM2 P08172 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
SCHEMBL5154919 0.77 OPRL1 (0.50) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9177106 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL10202894 0.73 OPRL1 (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21209747 0.71 OPRL1 (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL15555793 0.69 OPRL1 (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL17028504 0.68 OPRL1 (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL18309948 0.68 OPRL1 (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL1990088 0.68 OPRL1 (0.63) ALDH1A1MEN1KMT2ALMNAOPRL1
SCHEMBL4481641 0.67 OPRL1 (0.54) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21287623 0.67 CYP2D6 (0.58) ALDH1A1MEN1KMT2ALMNAMAPK1

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
WO-1992018479-A1 SUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed