SCHEMBL20204879

SCHEMBL20204879

C[C@@H]1CCCc2c1ccc(F)c2CCC1CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.32
OPRL1 P41146 8/20 0.32
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL20206763 1.00 ADRA1A (0.32) ADRA1AOPRL1HRH2HRH3
SCHEMBL20376449 0.91 ADRA1A (0.36) ADRA1AOPRL1
SCHEMBL20201610 0.91 ADRA1A (0.36) ADRA1AOPRL1
SCHEMBL20376448 0.83 ADRA1A (0.34) ADRA1AOPRL1
SCHEMBL20201608 0.77 CXCR2 (0.34) OPRL1
SCHEMBL20206761 0.73 FEN1 (0.36) HRH2HRH3
SCHEMBL20376466 0.73 FEN1 (0.36) HRH2HRH3
SCHEMBL22143863 0.72 DRD2 (0.40) OPRL1HRH2HRH3
SCHEMBL23987321 0.66 HRH3 (0.35) HRH2HRH3
SCHEMBL16729403 0.65 PNMT (0.41)

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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed