SCHEMBL23192572

SCHEMBL23192572

Cc1cc2c(s1)C1(CCNCC1)OCC2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
OPRL1 P41146 9/20 0.34
RORC P51449 3/20 0.32
OPRM1 P35372 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
SCHEMBL24273060 0.83 PNMT (0.35) PNMTOPRL1
SCHEMBL31387195 0.82 PNMT (0.31) PNMTOPRL1
SCHEMBL25361834 0.82 PNMT (0.31) PNMTOPRL1
SCHEMBL25357471 0.82 PNMT (0.31) PNMTOPRL1
SCHEMBL25358899 0.82 PNMT (0.31) PNMTOPRL1
SCHEMBL11949329 0.82 OPRL1 (0.43) OPRL1RORC
SCHEMBL1808867 0.82 OPRL1 (0.43) OPRL1
Hydrochloric Acid SCHEMBL1803833 0.81 OPRL1 (0.43) OPRL1RORC
SCHEMBL23192442 0.78 OPRL1 (0.33) OPRL1RORC
SCHEMBL25095242 0.78 RORC (0.34) OPRL1RORC

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-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed