SCHEMBL22212640

SCHEMBL22212640

Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCCCC4)nc4c3CCNC4)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.51
▸ CCNC P24863 3/20 0.47
▸ CDK8 P49336 3/20 0.47
▸ AURKA O14965 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ AXL P30530 4/20 0.39
▸ MERTK Q12866 4/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 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
SCHEMBL19932686 0.90 CHRM1 (0.61) CHRM1
Hydrochloric Acid SCHEMBL21545691 0.89 CHRM1 (0.61) CHRM1
SCHEMBL22212609 0.84 ALDH1A1 (0.46) CNR1CNR2PARP1
SCHEMBL19932638 0.84 CNR2 (0.46) CNR1CNR2PARP1
SCHEMBL22212636 0.83 EPHX2 (0.46) CNR1CNR2
SCHEMBL22212615 0.81 PARP1 (0.40) CHRM1CNR1CNR2PARP1
SCHEMBL22212644 0.81 CHRM1 (0.50) CHRM1PARP1
SCHEMBL22212656 0.79 PARP1 (0.42) CNR1CNR2PARP1
SCHEMBL22212639 0.78 CHRM1 (0.69) CHRM1CCNCCDK8
SCHEMBL19932682 0.78 CHRM1 (0.57) CHRM1CCNCCDK8AURKAAURKB

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-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
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