SCHEMBL4650914

SCHEMBL4650914

CCCC1CCC(c2ccccc2-c2cccc(F)c2C2CCC(CCC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.41
CYP2C9 P11712 1/20 0.35
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ABCB1 P08183 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PPIA P62937 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
SCHEMBL28003026 0.89 OPRL1 (0.40) OPRL1CYP2C9HTR1AALDH1A1LMNA
SCHEMBL4650755 0.85 CYP2C9 (0.44) OPRL1CYP2C9SLC6A4ALDH1A1LMNA
SCHEMBL9639405 0.85 CYP2C9 (0.44) OPRL1CYP2C9SLC6A4ALDH1A1LMNA
SCHEMBL4818957 0.85 OPRL1 (0.41) OPRL1CYP2C9HTR1ASLC6A2SLC6A4
SCHEMBL7148263 0.82 OPRL1 (0.44) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2888653 0.80 CYP2C9 (0.37) OPRL1CYP2C9SLC6A4ALDH1A1LMNA
SCHEMBL17075718 0.80 OPRL1 (0.46) OPRL1CYP2C9HTR1ASLC6A2SLC6A4
SCHEMBL28483699 0.80 OPRL1 (0.45) OPRL1CYP2C9HTR1ASLC6A2SLC6A4
SCHEMBL716244 0.80 OPRL1 (0.45) OPRL1CYP2C9HTR1ASLC6A2SLC6A4
SCHEMBL17075722 0.80 OPRL1 (0.46) OPRL1CYP2C9HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599562-B9 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2008-09-24 EP claimed
EP-1599562-B1 NEMATIC LIQUID CRYSTAL MIXTURES FOR BISTABLE DISPLAY DEVICES NEMOPTIC (FR) 2007-05-16 EP claimed