SCHEMBL9683151

SCHEMBL9683151

CCCCCCCCCc1cccc(-c2ccccc2-c2cccc(C#N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ ADRA2C P18825 1/20 0.50
▸ FAAH O00519 1/20 0.44
▸ GPR3 P46089 1/20 0.44
▸ LPL P06858 2/20 0.43
▸ LIPG Q9Y5X9 2/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSK P43235 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ SPHK2 Q9NRA0 2/20 0.39
▸ SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL11730495 1.00 TSHR (0.51) TSHRHSD17B10CNR1CNR2ADRA2C
SCHEMBL4603537 1.00 TSHR (0.51) TSHRHSD17B10CNR1CNR2ADRA2C
SCHEMBL4605463 1.00 TSHR (0.51) TSHRHSD17B10CNR1CNR2ADRA2C
SCHEMBL4604752 0.99 ADRA2C (0.51) TSHRHSD17B10CNR1CNR2ADRA2C
SCHEMBL3799636 0.89 TSHR (0.53) TSHRHSD17B10CNR1CNR2ADRA2C
SCHEMBL8621176 0.88 TSHR (0.51) TSHRHSD17B10CNR1CNR2ADRA2C
SCHEMBL11597170 0.88 TSHR (0.51) TSHRHSD17B10CNR1CNR2FAAH
SCHEMBL3854170 0.87 CNR1 (0.49) TSHRHSD17B10CNR1CNR2ADRA2C
SCHEMBL4651880 0.87 TSHR (0.49) TSHRHSD17B10CNR1CNR2ADRA2C
SCHEMBL8377707 0.86 CNR1 (0.47) TSHRHSD17B10CNR1CNR2ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4834906-A Smectic A liquid crystal compositions MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US claimed
US-5094776-A Cyanobiphenyls and ester and ether derivatives CHISSO CORPORATION (JP) 1992-03-10 — — US disclosed
US-5085799-A Mixtures of cyanobiphenyls CHISSO CORPORATION (JP) 1992-02-04 — — US disclosed
EP-0347468-A1 LIQUID CRYSTAL COMPOSITION Chisso Corporation (JP) 1989-12-27 — — EP disclosed
EP-0345357-A1 LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1989-12-13 — — EP disclosed
US-4834906-A Smectic A liquid crystal compositions MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
EP-0213146-A1 A method for the Extension of the Temperature Range for the Smectic A Phase of a Base Liquid Crystal Composition. MERCK PATENT GMBH (DE) 1987-03-11 — — EP disclosed
WO-1986004324-A1 SMECTIC A LIQUID CRYSTAL COMPOSITIONS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-07-31 — — WO disclosed
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