SCHEMBL7748916

SCHEMBL7748916

O=C(NCCCN1CCC2(CC1)OCc1ccccc12)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.67
ADRA1D P25100 11/20 0.67
ADRA1B P35368 11/20 0.67
OPRL1 P41146 4/20 0.51
MCHR1 Q99705 5/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL7748912 1.00 ADRA1A (0.67) ADRA1AADRA1DADRA1BOPRL1MCHR1
SCHEMBL7747513 0.92 ADRA1A (0.57) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7747511 0.92 ADRA1A (0.57) ADRA1AADRA1DADRA1BMCHR1
SCHEMBL7213199 0.81 ADRA1A (0.63) ADRA1AADRA1DADRA1B
SCHEMBL7747425 0.79 ADRA1A (0.49) ADRA1AADRA1DADRA1B
SCHEMBL7212013 0.78 ADRA1A (0.55) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL14273978 0.77 OPRL1 (0.66) ADRA1AADRA1DADRA1BOPRL1MCHR1
SCHEMBL7212032 0.77 ADRA1A (0.54) ADRA1AADRA1DADRA1B
SCHEMBL7213122 0.76 ADRA1A (0.59) ADRA1AADRA1DADRA1B
SCHEMBL7218274 0.75 ADRA1A (0.57) ADRA1AADRA1DADRA1B

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-2001022919-A2 SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF MERCK & CO., INC. (US) 2001-04-05 WO claimed