SCHEMBL28496304

SCHEMBL28496304

CC(C)(C)OC(=O)N1CCc2c(Cc3ccc(F)cc3)cc(C(=O)NC3CCCCC3O)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 12/20 0.43
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CYP2D6 P10635 4/20 0.38
▸ CCR3 P51677 4/20 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
SCHEMBL19932701 1.00 CHRM1 (0.43) CHRM1CNR1CNR2CYP2D6CCR3
SCHEMBL19932702 0.90 CNR2 (0.44) CNR1CNR2
SCHEMBL21545782 0.88 CHRM1 (0.47) CHRM1
SCHEMBL19932635 0.86 CHRM1 (0.49) CHRM1
SCHEMBL19932547 0.84 CHRM1 (0.46) CHRM1
SCHEMBL19925934 0.83 PTGER4 (0.43) CNR1CNR2
SCHEMBL19932597 0.80 ADORA1 (0.44) CNR1CNR2
SCHEMBL19932705 0.79 CHRM1 (0.51) CHRM1
SCHEMBL28904624 0.78 CHRM1 (0.61) CHRM1
SCHEMBL19932658 0.78 CHRM1 (0.61) 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
CN-109952302-B Positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2020-11-24 — — CN disclosed
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