SCHEMBL9620704

SCHEMBL9620704

CCCCCc1ccc([C@H]2CC[C@H](CCC)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.42
SPHK1 Q9NYA1 3/20 0.42
DRD2 P14416 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL9620708 1.00 OPRL1 (0.42) OPRL1SPHK1DRD2SLC6A2HTR2A
SCHEMBL9398896 0.92 SPHK1 (0.43) OPRL1SPHK1HTR2A
SCHEMBL13666232 0.90 OPRL1 (0.45) OPRL1
SCHEMBL12734995 0.90 OPRL1 (0.36) OPRL1SPHK1DRD2SLC6A2HTR2A
SCHEMBL12739752 0.87 S1PR1 (0.39) OPRL1SPHK1DRD2SLC6A2HTR2A
SCHEMBL10302097 0.87 OPRL1 (0.37) OPRL1SPHK1DRD2SLC6A2HTR2A
SCHEMBL12735895 0.86 PDE4B (0.35) OPRL1SPHK1
SCHEMBL12716424 0.86 OPRL1 (0.37) OPRL1SPHK1
SCHEMBL21321659 0.85 RARB (0.45) OPRL1SPHK1
SCHEMBL12734143 0.84 OPRL1 (0.33) OPRL1SPHK1DRD2SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317587-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1992-01-02 EP disclosed