SCHEMBL4603022

SCHEMBL4603022

CN(CC(F)(F)F)C1CCN(c2ccc3c(C(=O)O)snc3c2)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.38
MCHR1 Q99705 5/20 0.36
IDH1 O75874 1/20 0.36
JAK3 P52333 1/20 0.35
USP28 Q96RU2 2/20 0.35
CHRM4 P08173 2/20 0.35

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
SCHEMBL492632 0.84 NOTUM (0.37) NOTUMMCHR1IDH1JAK3CHRM4
SCHEMBL14542488 0.79 NOTUM (0.37) NOTUMMCHR1IDH1JAK3USP28
SCHEMBL4603926 0.75 NTSR1 (0.41) IDH1
SCHEMBL492491 0.73 CHRNA7 (0.41)
SCHEMBL492153 0.73 CHRNA7 (0.41)
SCHEMBL24681680 0.71 MCHR1 (0.44) NOTUMMCHR1CHRM4
SCHEMBL492049 0.68 MCHR1 (0.43) MCHR1USP28
SCHEMBL492199 0.68 MCHR1 (0.43) MCHR1USP28
SCHEMBL492284 0.64 PDE10A (0.42) MCHR1JAK3
SCHEMBL20896254 0.64 MCHR1 (0.46) MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO disclosed