SCHEMBL8636331

SCHEMBL8636331

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL8639820 0.86 OPRM1 (0.35) OPRL1OPRM1OPRD1OPRK1ADRA2A
SCHEMBL8639794 0.86 DRD2 (0.38) OPRL1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL8643030 0.84 ALDH1A1 (0.41) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL8640570 0.83 OPRL1 (0.38) OPRL1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL8637057 0.80 SLC6A3 (0.37) SLC6A2SLC6A4SLC6A3TP53CYP3A4
SCHEMBL8641145 0.74 OPRL1 (0.36) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL8641146 0.74 OPRL1 (0.36) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL18910942 0.72 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL11166115 0.72 BCHE (0.57) OPRL1ESR1ADRA2AADORA3TACR2
SCHEMBL18910938 0.71 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1SLC6A2

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