SCHEMBL31018409

SCHEMBL31018409

CN(c1ccc(C(F)(F)F)cc1)c1cccc2c1CCNC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.42
ASIC3 Q9UHC3 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
PNMT P11086 2/20 0.35
MAOB P27338 1/20 0.35
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
HTR2B P41595 5/20 0.34
P2RY1 P47900 1/20 0.32
HTR6 P50406 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL329305 0.76 CD44 (0.56) CD44PNMTMAOBHTR2C
Hydrochloric Acid SCHEMBL21326092 0.74 CD44 (0.54) CD44PNMTMAOBHTR2C
Hydrochloric Acid SCHEMBL2808299 0.74 CD44 (0.54) CD44PNMTMAOBHTR2C
Hydrochloric Acid SCHEMBL29586472 0.74 CD44 (0.54) CD44PNMTMAOBHTR2C
SCHEMBL17021262 0.74 PRCP (0.51) CD44ASIC3PNMTMAOBHTR2A
SCHEMBL30519159 0.74 PRCP (0.51) CD44ASIC3PNMTMAOBHTR2A
Hydrochloric Acid SCHEMBL27077371 0.73 PRCP (0.50) CD44ASIC3HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29893369 0.73 PRCP (0.50) CD44ASIC3HTR2AHTR2CHTR2B
SCHEMBL25431215 0.71 P2RY1 (0.48) CD44ASIC3PNMTMAOBP2RY1
SCHEMBL31022094 0.71 CD44 (0.44) CD44ASIC3PNMTMAOBHTR2A

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-4654969-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-12-03 EP disclosed
WO-2024159067-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2024-08-02 WO disclosed