SCHEMBL23478117

SCHEMBL23478117

O=C(O[C@@H]1CCN[C@H]1Cc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRNA7 P36544 3/20 0.43
BCHE P06276 1/20 0.43
RAB9A P51151 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL23459138 0.76 POLB (0.44)
SCHEMBL23477603 0.76 POLB (0.44)
SCHEMBL23459139 0.76 POLB (0.44)
SCHEMBL27499699 0.75 CHRNA7 (0.56) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL14438633 0.75 CHRNB2 (0.45) CHRNA7
SCHEMBL14438614 0.75 CHRNB2 (0.45) CHRNA7
SCHEMBL14438617 0.75 CHRNB2 (0.45) CHRNA7
SCHEMBL25698496 0.74 PRKCG (0.53) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL25698185 0.73 SLC18A3 (0.52) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL23477900 0.72 GBA1 (0.44) BCHE

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-2021113506-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2021-06-10 WO disclosed