SCHEMBL18756029

SCHEMBL18756029

O=C(C/C=C/[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)cc2)c(OC(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 18/20 0.51
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL18756178 0.91 CHRM1 (0.52) CHRM1PTGDR2
SCHEMBL18756538 0.88 CHRM1 (0.55) CHRM1
SCHEMBL18756673 0.86 CHRM1 (0.57) CHRM1
SCHEMBL21235333 0.86 CHRM1 (0.57) CHRM1
SCHEMBL18756671 0.86 CHRM1 (0.68) CHRM1
SCHEMBL18725428 0.82 CHRM1 (0.74) CHRM1
SCHEMBL18756139 0.81 CHRM1 (0.54) CHRM1
SCHEMBL18756370 0.80 CHRM1 (0.52) CHRM1
SCHEMBL17440091 0.80 CHRM1 (0.46) CHRM1PTGDR2
SCHEMBL18756379 0.79 CHRM1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156397-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-3156397-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-04-19 — — EP disclosed
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