SCHEMBL8640570

SCHEMBL8640570

CCCCCC1=CCC(O)(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.38
SLC6A3 Q01959 5/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 1/20 0.37
DRD2 P14416 1/20 0.35
CCR1 P32246 2/20 0.35
OPRM1 P35372 3/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL8639794 0.85 DRD2 (0.38) OPRL1SLC6A3SLC6A4SLC6A2DRD2
SCHEMBL8639820 0.83 OPRM1 (0.35) OPRL1SLC6A3SLC6A4SLC6A2DRD2
SCHEMBL8636331 0.83 OPRL1 (0.42) OPRL1SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL8643030 0.81 ALDH1A1 (0.41) OPRL1CCR1OPRM1LMNAMEN1
SCHEMBL8637057 0.80 SLC6A3 (0.37) SLC6A3SLC6A4SLC6A2DRD2MEN1
SCHEMBL8657329 0.76 OPRL1 (0.38) OPRL1SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL8657325 0.76 OPRL1 (0.38) OPRL1SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL18282707 0.68 OPRL1 (0.55) OPRL1SLC6A3SLC6A4SLC6A2DRD2
SCHEMBL9034707 0.67 OPRL1 (0.48) OPRL1SLC6A3SLC6A4SLC6A2DRD2
SCHEMBL5551665 0.66 PTGS2 (0.48) SLC6A3SLC6A4SLC6A2LMNAMEN1

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
EP-0571652-B1 Liquid crystalline substituted dihydrobenzene derivatives CITIZEN WATCH CO LTD (JP) 1998-08-05 EP disclosed
US-5342546-A Liquid crystal compositions L.C.C. CONSULTANTS CO., LTD. (JP) 1994-08-30 US disclosed
EP-0571652-A1 Liquid crystalline substituted dihydrobenzene derivatives L.C.C. CONSULTANTS CO., LTD. (JP) 1993-12-01 EP disclosed