SCHEMBL7115756

SCHEMBL7115756

CCCCc1cc(N)cc(C(N)=O)c1OC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PARP10 Q53GL7 1/20 0.35
NAAA Q02083 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 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
Hydrochloric Acid SCHEMBL7055004 0.71 CTNNB1 (0.43) CNR1CNR2GABRPGABRDGABRA1
SCHEMBL27358802 0.68 GABRP (0.48) THRATHRBGABRPGABRDGABRA1
SCHEMBL29113872 0.68 ALOX5 (0.55) CNR2THRATHRBGABRPGABRD
SCHEMBL7115747 0.65 HTR2A (0.59) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL9363448 0.64 GABRP (0.54) THRBGABRPGABRDGABRA1GABRB1
SCHEMBL7587035 0.63 ALDH1A1 (0.49) ALDH1A1HTT
SCHEMBL7939821 0.63 SCN1A (0.54) CNR1CNR2NAAAALDH1A1HTT
SCHEMBL12760769 0.63 BID (0.45) CNR1CNR2
SCHEMBL28705838 0.63 MEN1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7193300 0.63 ALOX5 (0.43) CNR1CNR2ALDH1A1HTT

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-2003032893-A2 ASSIGNMENT ACHÉ LABORATÓRIOS FARMACÊUTICOS S/A (BR) 2003-04-24 WO claimed