SCHEMBL27849367

SCHEMBL27849367

CC(C)(C)C(=O)Oc1ccc(Cl)cc1-c1ccnn1C1CNC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.47
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.39
SCN2B O60939 1/20 0.38
SCN1B Q07699 1/20 0.38
SCN5A Q14524 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 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
SCHEMBL27997584 0.87 SCN9A (0.50) SCN9A
SCHEMBL19075585 0.78 SCN9A (0.43) SCN9ACYP2C9CYP3A4SCN2BSCN1B
Tert-Butyl Formate SCHEMBL27849369 0.76 SCN9A (0.41) SCN9ACYP2C9CYP3A4SCN2BSCN1B
SCHEMBL17428427 0.76 SCN9A (0.42) SCN9AHTR2AHTR2C
SCHEMBL1745322 0.71 SCN9A (0.51) SCN9ACYP2C9CYP3A4
SCHEMBL19084060 0.71 SCN9A (0.41) SCN9ACYP2C9CYP3A4SCN2BSCN1B
SCHEMBL27849364 0.71 CHRNB2 (0.44) SCN9AHTR2C
SCHEMBL17428615 0.68 SCN9A (0.52) SCN9ACYP2C9CYP3A4SCN2BSCN1B
SCHEMBL19075822 0.68 SCN9A (0.52) SCN9ACYP2C9CYP3A4SCN2BSCN1B
SCHEMBL28816431 0.67 SCN9A (0.50) SCN9A

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
CN-102348697-B Sulfonamide derivatives PFIZER LTD 2014-12-10 CN disclosed
CN-102348697-A Sulfonamide derivatives PFIZER LTD 2012-02-08 CN disclosed