SCHEMBL7706875

SCHEMBL7706875

Cc1cc2c(cc1N)N(C(C)C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RARG P13631 2/20 0.43
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7709737 0.94 RARA (0.43) RARARARBRARGHSD17B10CYP3A4
SCHEMBL7709686 0.85 RARA (0.43) RARARARBRARG
SCHEMBL7709957 0.77 RARA (0.53) RARARARBRARG
SCHEMBL7709675 0.77 RARA (0.53) RARARARBRARG
SCHEMBL8293240 0.75 RARA (0.54) RARARARBRARG
SCHEMBL7712301 0.74 RARA (0.53) RARARARBRARGCYP3A4
SCHEMBL15625438 0.71 RARA (0.53) RARARARBRARGHSD17B10CYP3A4
SCHEMBL12715253 0.71 RARA (0.53) RARARARBRARGHSD17B10
SCHEMBL17675521 0.71 RARA (0.53) RARARARBRARG
SCHEMBL29539383 0.70 CYP3A4 (0.44) RARARARBRARGHSD17B10CYP3A4

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 3 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
US-6127382-A AN ANTIPROLIFERATIVE AGENT FOR TREATING SKIN-RELATED DISEASES, AN ANTITUMOR AGENT TREATING CANCER, AN ANTIINFLAMMATORY AGENT TREATING PULMONARY FIBROSIS, ILEITIS, COLITIS AND KROHN'S DISEASE ALLERGAN SALES, INC. (US) 2000-10-03 US disclosed