SCHEMBL6670028

SCHEMBL6670028

CC(C)NC(=O)Nc1cccc(-c2c(Br)cnn2C)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.71
HTR2C P28335 16/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
PTPN1 P18031 1/20 0.44

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
SCHEMBL6670281 0.84 HTR2A (0.71) HTR2AHTR2C
SCHEMBL6201624 0.83 HTR2A (1.00) HTR2AHTR2C
SCHEMBL6201248 0.83 HTR2A (0.63) HTR2AHTR2C
SCHEMBL6200743 0.83 HTR2A (0.72) HTR2AHTR2C
SCHEMBL6671382 0.82 HTR2A (0.68) HTR2AHTR2C
SCHEMBL6199703 0.82 HTR2A (0.78) HTR2AHTR2C
SCHEMBL6194881 0.81 HTR2A (0.77) HTR2AHTR2C
SCHEMBL6200786 0.81 HTR2A (0.77) HTR2AHTR2C
SCHEMBL6197618 0.81 HTR2A (0.61) HTR2AHTR2CCA12CA1CA2
SCHEMBL6200496 0.81 HTR2A (0.77) HTR2AHTR2C

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-2004028450-A2 PROCESS OF MAKING PHENYLPYRAZOLES USEFUL AS SELECTIVE 5HT2A MODULATORS AND INTERMEDIATES THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-04-08 WO disclosed