SCHEMBL19932680

SCHEMBL19932680

CN1CCOc2c(Cc3ccc(-c4cnn(C)c4)cc3)cc(C(=O)NC3CCCCC3)nc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 6/20 0.54
▸ CCNC P24863 3/20 0.46
▸ CDK8 P49336 3/20 0.46
▸ PIK3CD O00329 1/20 0.41
▸ AURKA O14965 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ USP30 Q70CQ3 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
SCHEMBL21545781 0.90 CHRM1 (0.61) CHRM1
SCHEMBL19932682 0.88 CHRM1 (0.57) CHRM1CCNCCDK8PIK3CDAURKA
SCHEMBL19932607 0.87 CNR2 (0.46) CHRM1CNR1CNR2
SCHEMBL19932685 0.85 NPC1 (0.46) CHRM1CNR1CNR2
SCHEMBL19932715 0.84 CHRM1 (0.43) CHRM1CNR1CNR2
SCHEMBL19932684 0.84 CHRM1 (0.42) CHRM1CNR1
SCHEMBL19932588 0.83 CHRM1 (0.51) CHRM1
SCHEMBL22212669 0.81 IDH1 (0.39) —
SCHEMBL21935357 0.80 CHRM1 (0.64) CHRM1CCNCCDK8
SCHEMBL19932678 0.80 PARP1 (0.39) CHRM1CNR1CNR2

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-2018042362-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-03-08 — — WO disclosed
Send feedback