SCHEMBL8377181

SCHEMBL8377181

CCCCOc1ccc(C#Cc2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
FAAH O00519 3/20 0.53
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
LTA4H P09960 4/20 0.48
ACACB O00763 1/20 0.48
NR5A1 Q13285 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL8376570 0.96 NR5A1 (0.53) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL8519007 0.95 NR5A1 (0.56) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL9508533 0.95 CYP2D6 (0.54) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL8379631 0.92 CYP1A2 (0.51) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL9512440 0.92 CYP2D6 (0.51) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL4270834 0.90 TSHR (0.64) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL9512559 0.87 MCHR1 (0.51) TSHRCYP2D6CYP1A2CYP2C19TDP1
SCHEMBL9510165 0.86 TSHR (0.57) TSHRCYP2D6CYP1A2CYP2C19TDP1
SCHEMBL5169009 0.86 NR5A1 (0.62) TSHRFAAHCYP2D6CYP1A2CYP2C19
SCHEMBL24398901 0.84 NR5A1 (0.66) TSHRFAAHCYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP claimed
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
EP-0438547-B2 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-07-07 EP disclosed
EP-0494368-B1 Supertwist liquid crystal display MERCK PATENT GMBH (DE) 1999-01-20 EP disclosed
EP-0481293-B1 Supertwist liquid crystal display MERCK PATENT GMBH (DE) 1996-06-05 EP disclosed
EP-0452460-B1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1995-01-18 EP disclosed
EP-0438547-B1 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-12-14 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed
EP-0494368-A2 Supertwist liquid crystal display MERCK PATENT GmbH (DE) 1992-07-15 EP disclosed
EP-0481293-A2 Supertwist liquid crystal display MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0452460-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM. MERCK PATENT GMBH (DE) 1991-10-23 EP disclosed
EP-0438547-A1 SUPER-TWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1991-07-31 EP disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed
WO-1991000898-A1 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-01-24 WO disclosed
EP-0396959-A1 Liquid crystal OMI-type display device MERCK PATENT GmbH (DE) 1990-11-14 EP disclosed