SCHEMBL31455956

SCHEMBL31455956

CCC(N)Cc1cc(OC)c(CC(F)F)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
HTR2A P28223 2/20 0.51
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 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
SCHEMBL31456080 0.87 HTR2A (0.52) TAAR1HTR2AHTR2CHTR2B
SCHEMBL31498057 0.86 TAAR1 (0.71) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL11739911 0.86 TAAR1 (0.71) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL27878290 0.84 TAAR1 (0.54) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL29279603 0.84 TAAR1 (0.47) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL30855258 0.84 TAAR1 (0.51) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL31456000 0.83 TAAR1 (0.50) TAAR1HTR2A
SCHEMBL29279530 0.83 TAAR1 (0.46) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL24765641 0.83 TAAR1 (0.53) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL11614044 0.83 TAAR1 (0.53) TAAR1HTR2AHTR1AHTR2CHTR2B

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-2025059373-A1 NOVEL PHENALKYLAMINES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed