SCHEMBL20201610

SCHEMBL20201610

C[C@@H]1CCc2c1ccc(F)c2CCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.36
OPRL1 P41146 3/20 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
SCHEMBL20376449 1.00 ADRA1A (0.36) ADRA1AOPRL1
SCHEMBL20206763 0.91 ADRA1A (0.32) ADRA1AOPRL1
SCHEMBL20376448 0.91 ADRA1A (0.34) ADRA1AOPRL1
SCHEMBL20204879 0.91 ADRA1A (0.32) ADRA1AOPRL1
SCHEMBL20204881 0.72 ALOX5AP (0.35) ADRA1A
SCHEMBL22143868 0.70 DRD2 (0.44)
SCHEMBL26176614 0.70 DRD2 (0.44)
SCHEMBL20201608 0.68 CXCR2 (0.34) OPRL1
SCHEMBL5466173 0.68 ADRA1A (0.34) ADRA1A
SCHEMBL20201613 0.67 MAOB (0.39)

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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed