SCHEMBL7710016

SCHEMBL7710016

Cc1ccc2c(c1)N(C(C)C)C(=O)CC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.57
RARB P10826 2/20 0.57
RARG P13631 2/20 0.57
RXRA P19793 9/20 0.43
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL7703988 0.88 RARA (0.57) RARARARBRARGRXRAHSD17B10
SCHEMBL7703905 0.84 RARA (0.56) RARARARBRARGRXRAPGR
SCHEMBL8603410 0.80 RARB (0.65) RARARARBRARGRXRA
SCHEMBL9091776 0.80 RARA (0.51) RARARARBRARGRXRAALDH1A1
SCHEMBL14533938 0.80 OPRM1 (0.42) RARARARBRARGRXRAHSD17B10
SCHEMBL7703951 0.79 RARA (0.46) RARARARBRARGRXRAALDH1A1
SCHEMBL3496914 0.77 RXRA (0.47) RARARARBRARGRXRAPGR
SCHEMBL7709681 0.77 RARA (0.46) RARARARBRARGRXRAHSD17B10
SCHEMBL8632000 0.76 RARB (0.67) RARARARBRARGRXRA
SCHEMBL7709931 0.75 RARA (0.56) RARARARBRARGRXRAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228042-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2002-08-07 EP disclosed
WO-2001012606-A2 TETRAHYDROQUINOLINE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 2001-02-22 WO disclosed