SCHEMBL30179239

SCHEMBL30179239

O=C(NC1CCOCC1)c1cc(Cc2ccc(Cl)nc2)c2cccnn12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.46
NTRK1 P04629 1/20 0.40
BRD4 O60885 2/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL20917726 1.00 CHRM1 (0.46) CHRM1NTRK1BRD4PDE4APDE4B
SCHEMBL22264580 0.83 CHRM1 (0.59) CHRM1
SCHEMBL20920148 0.82 CHRM1 (0.52) CHRM1
SCHEMBL2275591 0.74 CHRM1 (0.53) CHRM1BRD4
SCHEMBL24893026 0.74 KMT2A (0.37) CHRM1
SCHEMBL16948157 0.73 CHRM1 (0.77) CHRM1
SCHEMBL22264575 0.72 CHRM1 (0.49) CHRM1
SCHEMBL20917737 0.72 CHRM1 (0.53) CHRM1
SCHEMBL12072483 0.72 CHRM1 (0.47) CHRM1BRD4
SCHEMBL20929656 0.71 CHRM1 (0.56) 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-3697790-B1 HETEROARYL COMPOUNDS AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2023-01-18 EP disclosed