SCHEMBL25329565

SCHEMBL25329565

N#Cc1ccc(N2CCC(c3ccc(OCCCCC4CCN(C(=O)O)CC4)cc3)CC2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.42
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM5 P08912 1/20 0.41
FAAH O00519 2/20 0.40
CHRM4 P08173 1/20 0.38
SCN9A Q15858 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL25929486 0.90 GPR119 (0.51) ARFAAH
SCHEMBL30493264 0.87 GPR119 (0.48) ARCHRM2CHRM1CHRM5FAAH
SCHEMBL30493393 0.86 AR (0.41) AR
SCHEMBL25929504 0.86 AR (0.41) AR
SCHEMBL25931248 0.85 AR (0.41) AR
SCHEMBL30493385 0.85 AR (0.41) AR
SCHEMBL25328831 0.84 AR (0.44) AR
SCHEMBL31131387 0.83 AR (0.42) AR
SCHEMBL25931177 0.83 AR (0.42) AR
SCHEMBL25330625 0.83 AR (0.47) ARCHRM2CHRM1CHRM5SCN9A

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed