SCHEMBL8377171

SCHEMBL8377171

CCCCCc1cccc(-c2c(F)cc(F)cc2-c2cccc(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ LPL P06858 2/20 0.35
▸ LIPG Q9Y5X9 2/20 0.35
▸ SPHK2 Q9NRA0 3/20 0.35
▸ SPHK1 Q9NYA1 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ USP7 Q93009 2/20 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
SCHEMBL8921408 0.85 ADRA2C (0.45) CNR1CNR2TSHRHSD17B10ADRA2C
SCHEMBL8377707 0.85 CNR1 (0.47) CNR1CNR2TSHRHSD17B10ADRA2C
SCHEMBL4604752 0.82 ADRA2C (0.51) CNR1CNR2TSHRHSD17B10ADRA2C
SCHEMBL9683151 0.81 TSHR (0.51) CNR1CNR2TSHRHSD17B10ADRA2C
SCHEMBL11730495 0.81 TSHR (0.51) CNR1CNR2TSHRHSD17B10ADRA2C
SCHEMBL4603537 0.81 TSHR (0.51) CNR1CNR2TSHRHSD17B10ADRA2C
SCHEMBL4605463 0.81 TSHR (0.51) CNR1CNR2TSHRHSD17B10ADRA2C
SCHEMBL3799636 0.80 TSHR (0.53) CNR1CNR2TSHRHSD17B10ADRA2C
SCHEMBL921919 0.76 TSHR (0.56) TSHRHSD17B10LPLLIPG
SCHEMBL921927 0.75 TSHR (0.58) CNR1CNR2TSHRHSD17B10LPL

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
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 — — US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 — — US disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 — — WO disclosed
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