SCHEMBL28043076

SCHEMBL28043076

CNc1cc(-c2ccc(C(F)(F)F)cc2)nc(C2CNCCO2)c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46

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
SCHEMBL28043072 0.86
SCHEMBL27988602 0.71 SLC6A3 (0.46)
SCHEMBL26249383 0.71 TP53 (0.43) HTR1A
SCHEMBL26249388 0.71 TP53 (0.43) HTR1A
SCHEMBL26249385 0.71 TP53 (0.43) HTR1A
SCHEMBL17224083 0.70
SCHEMBL17224109 0.70
SCHEMBL17224076 0.70
SCHEMBL28042882 0.70 KDM1A (0.39)
SCHEMBL1760973 0.70 HTR1A (0.68) HTR1A

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
CN-105143188-A Novel sulfonamide trpa1 receptor antagonists PHARMESTE S R L IN LIQUIDATION 2015-12-09 CN disclosed