SCHEMBL25856483

SCHEMBL25856483

CC(C)C1CCN(CC2CN(C3CCC(N)CC3)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.39
OPRM1 P35372 15/20 0.39
OPRK1 P41145 13/20 0.39
OPRD1 P41143 8/20 0.37
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL21947721 0.84 ACHE (0.40) OPRL1OPRM1OPRK1OPRD1GNAI3
SCHEMBL24480750 0.83 ACHE (0.49) GNAI3GNAO1GNAI1ACHEPOLB
SCHEMBL25856478 0.82 OPRL1 (0.39) OPRL1OPRM1OPRK1OPRD1ACHE
SCHEMBL25815741 0.75 ACHE (0.37) OPRL1OPRM1OPRK1OPRD1GNAI3
SCHEMBL25630859 0.75 OPRL1 (0.43) OPRL1OPRM1OPRK1OPRD1ACHE
SCHEMBL680627 0.74 ACHE (0.47) OPRL1OPRM1OPRK1OPRD1ACHE
SCHEMBL21946384 0.74 ACHE (0.36) OPRL1OPRM1OPRK1OPRD1ACHE
SCHEMBL26445224 0.74 ACHE (0.36) OPRL1OPRM1OPRK1OPRD1ACHE
SCHEMBL25856194 0.73 ACHE (0.49) ACHEPOLB
SCHEMBL27425161 0.73 ACHE (0.45) OPRL1OPRM1OPRK1OPRD1ACHE

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-2023131167-A1 COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 海思科医药集团股份有限公司 2023-07-13 WO disclosed