SCHEMBL29468752

SCHEMBL29468752

CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(F)c(Br)c3)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.53
PARP1 P09874 4/20 0.48
TNKS O95271 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
GPR183 P32249 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
SCD5 Q86SK9 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL29468829 0.95 RORC (0.58) RORCPARP1TNKSTNKS2GPR183
SCHEMBL29468738 0.94 RORC (0.52) RORCPARP1TNKSTNKS2GPR183
SCHEMBL29468687 0.94 GPR183 (0.49) RORCPARP1TNKSTNKS2GPR183
SCHEMBL14125497 0.86 SIGMAR1 (0.55) RORCCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL30620506 0.85 GPR183 (0.52) RORCGPR183CYP1A2CYP3A4CYP2D6
SCHEMBL21276348 0.84 MGLL (0.53) RORCGPR183CYP1A2CYP3A4CYP2D6
SCHEMBL20556708 0.82 ERN1 (0.56) RORCGPR183CYP1A2CYP3A4CYP2D6
SCHEMBL1426231 0.81 CYP2D6 (0.64) CYP1A2CYP3A4CYP2D6TSHRSCD5
SCHEMBL30620521 0.80 RORC (0.49) RORCGPR183CYP1A2CYP3A4CYP2D6
SCHEMBL31565342 0.79 CYP3A4 (0.60) CYP1A2CYP3A4CYP2D6TSHR

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-4228761-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS University College Cardiff Consultants Limited (GB) 2023-08-23 EP disclosed
WO-2022079432-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-04-21 WO disclosed