SCHEMBL9475494

SCHEMBL9475494

O=C1c2c(-c3cccc(F)c3)noc2CCC1c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36

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
SCHEMBL9024345 0.75 HTR7 (0.43) HTR7GPBAR1GABRA5GRM5
SCHEMBL9024716 0.71 HTR7 (0.53) HTR7HTTGPBAR1GABRPGABRD
SCHEMBL9445139 0.70 HDAC1 (0.41) HTR7GRM5HDAC1HDAC8HDAC6
SCHEMBL9473993 0.69 HTR7 (0.42) HTR7PTGS1PTGS2GRM5
SCHEMBL9689077 0.68 DRD2 (0.43) KCNH2
SCHEMBL9445273 0.66 HTR7 (0.39) HTR7GRM5
SCHEMBL20546704 0.63 HTR7 (1.00) HTR7GPBAR1
SCHEMBL10849958 0.62 TSHR (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10342691 0.62 TSHR (0.39) GAAHTTNPSR1GABRPGABRD
SCHEMBL10342726 0.62 TSHR (0.41) GAAHTTNPSR1GABRPGABRD

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
US-5180834-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-19 US disclosed