SCHEMBL27367216

SCHEMBL27367216

Cc1ccc(N2CCC3(CCN(CC4CC[N+](C)(C)CC4)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.43
FFAR4 Q5NUL3 6/20 0.39
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
ADRB1 P08588 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12082219 0.77 MAPT (0.51) EBPADRB1
SCHEMBL22542091 0.74 MAPT (0.51) ADRB1
SCHEMBL12073571 0.73 CHRM5 (0.48) ADRB1
SCHEMBL24834707 0.72 MAPT (0.47) EBPADRB1
SCHEMBL15499062 0.72 MAPT (0.47) ADRB1
SCHEMBL19832328 0.71 ADRB1 (0.52) ADRB1CYP3A4MAPK1HSD17B10
SCHEMBL18872636 0.71 MAPT (0.46) ADRB1
SCHEMBL22537876 0.70 ADRB1 (0.50) ADRB1CYP3A4MAPK1HSD17B10
SCHEMBL24803641 0.69 MAPT (0.43) EBPOPRM1OPRD1OPRK1OPRL1
SCHEMBL30984879 0.68 SIRT6 (0.57) ADRB1

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-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO disclosed