SCHEMBL8921408

SCHEMBL8921408

CCCCc1cccc(-c2c(F)cccc2-c2cccc(C#N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.45
▸ CNR2 P34972 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ GABRG2 P18507 3/20 0.40
▸ GABRB3 P28472 3/20 0.40
▸ GABRA3 P34903 3/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ USP7 Q93009 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL8377171 0.85 CNR1 (0.42) ADRA2CCNR2CNR1GABRG2GABRB3
SCHEMBL4604752 0.82 ADRA2C (0.51) ADRA2CCNR2CNR1CTSSCTSK
SCHEMBL8215774 0.81 CYP11B1 (0.47) ADRA2CCNR2CNR1GABRG2GABRB3
SCHEMBL9683151 0.81 TSHR (0.51) ADRA2CCNR2CNR1CTSSCTSK
SCHEMBL4605463 0.81 TSHR (0.51) ADRA2CCNR2CNR1CTSSCTSK
SCHEMBL4603537 0.81 TSHR (0.51) ADRA2CCNR2CNR1CTSSCTSK
SCHEMBL11730495 0.81 TSHR (0.51) ADRA2CCNR2CNR1CTSSCTSK
SCHEMBL8217689 0.81 CYP11B1 (0.44) ADRA2CCNR2CNR1GABRG2GABRB3
SCHEMBL8215684 0.80 CNR1 (0.43) ADRA2CCNR2CNR1GABRG2GABRB3
SCHEMBL8209308 0.80 CNR1 (0.43) ADRA2CCNR2CNR1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9118882-A — — None — — JP disclosed
JP-5058981-A — — None — — JP disclosed
JP-H09118882-A LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE COMPOSITION SEIKO EPSON CORP 1997-05-06 — — JP disclosed
JP-H0558981-A TERPHENYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME SEIKO EPSON CORP 1993-03-09 — — JP disclosed
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