SCHEMBL8667366

SCHEMBL8667366

COCC1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
DGAT1 O75907 1/20 0.42
SOAT1 P35610 1/20 0.42
MGLL Q99685 1/20 0.38
P2RY14 Q15391 6/20 0.38
ADRB3 P13945 2/20 0.38
ADRA2B P18089 2/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
ADRA1B P35368 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
IDO1 P14902 1/20 0.38
KIF11 P52732 3/20 0.37
CETP P11597 1/20 0.36
ESR2 Q92731 1/20 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
SCHEMBL8072503 0.95 HTR2C (0.51) HTR2CDGAT1SOAT1IDO1ESR2
SCHEMBL8072502 0.95 HTR2C (0.51) HTR2CDGAT1SOAT1IDO1ESR2
SCHEMBL8670460 0.87 HTR2C (0.46) HTR2CDGAT1SOAT1P2RY14ADRB3
SCHEMBL7913858 0.84 DGAT1 (0.34) HTR2CDGAT1SOAT1IDO1CETP
SCHEMBL11282617 0.83 HTR2C (0.51) HTR2CDGAT1SOAT1P2RY14ADRB3
SCHEMBL8221146 0.83 L3MBTL1 (0.46) P2RY14KIF11ESR2
SCHEMBL10862270 0.82 CYP2C9 (0.52) DGAT1SOAT1ESR2
SCHEMBL8084509 0.82 HTR2C (0.50) HTR2CP2RY14IDO1ESR2
SCHEMBL11210312 0.82 CYP2C9 (0.52) DGAT1SOAT1ESR2
SCHEMBL8095323 0.82 ALDH1A1 (0.54) HTR2CDGAT1SOAT1P2RY14ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811029-A DIELECTRIC ANISOTROPY, CHEMICAL RESISTANCE, STORAGE STABILITY; ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-09-22 US disclosed
US-5389295-A Electrooptic display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0438575-B1 BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0438575-A1 BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1991-07-31 EP disclosed
WO-1991002710-A2 BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed