SCHEMBL21936381

SCHEMBL21936381

O=C(NC1CCCOC1)c1cc(Cc2ccc(-n3cccn3)cc2)c2c(n1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 18/20 0.52
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL21935666 0.93 CHRM1 (0.52) CHRM1
SCHEMBL21935662 0.92 CHRM1 (0.51) CHRM1
SCHEMBL21936387 0.90 CHRM1 (0.53) CHRM1
SCHEMBL31668967 0.88 CHRM1 (0.61) CHRM1
SCHEMBL21873460 0.88 CHRM1 (0.61) CHRM1
SCHEMBL21873511 0.87 CHRM1 (0.69) CHRM1
SCHEMBL30428852 0.87 CHRM1 (0.69) CHRM1
SCHEMBL21873456 0.86 CHRM1 (0.64) CHRM1
SCHEMBL30427991 0.86 CHRM1 (0.64) CHRM1
SCHEMBL21873393 0.85 CHRM1 (0.66) CHRM1

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-3643718-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-04-29 — — EP disclosed
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