SCHEMBL22077873

SCHEMBL22077873

CCC(CC(C)(C)Br)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
CTSK P43235 9/20 0.44
CTSS P25774 5/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
ATM Q13315 1/20 0.43
AAK1 Q2M2I8 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
APLNR P35414 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
SCHEMBL22077639 0.86 CTSK (0.46) SYKCTSKCTSSCA1CA2
SCHEMBL16281191 0.86 CTSK (0.46) SYKCTSKCTSSCA1CA2
SCHEMBL9911449 0.85 CA1 (0.52) SYKCTSKCTSSCA1CA2
SCHEMBL10464366 0.82 CTSK (0.46) SYKCTSKCTSSCA1CA2
SCHEMBL26104612 0.82 CTSK (0.46) SYKCTSKCTSSCA1CA2
SCHEMBL20757550 0.82 CTSK (0.49) SYKCTSKCTSSCA1CA2
SCHEMBL1809284 0.80 CTSK (0.47) SYKCTSKCTSSCA1CA2
SCHEMBL102361 0.80 CTSK (0.47) SYKCTSKCTSSCA1CA2
SCHEMBL1809285 0.80 CTSK (0.47) SYKCTSKCTSSCA1CA2
SCHEMBL2293242 0.79 CTSK (0.46) SYKCTSKCTSSCA1CA2

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-2020115506-A1 QUINOLINONE AND BENZOXAZINE DERIVATIVES AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-11 WO disclosed