SCHEMBL6187571

SCHEMBL6187571

COc1ccc2c(c1Br)CNCC2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.57
HTR2C P28335 4/20 0.55
HTR2B P41595 4/20 0.55
HTR2A P28223 3/20 0.55
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ASIC3 Q9UHC3 1/20 0.42
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL17583866 0.87 HTR2C (0.51) PNMTHTR2CHTR2BHTR2AASIC3
SCHEMBL5022472 0.81 PNMT (0.59) PNMTHTR2CHTR2BHTR2AADRA2A
SCHEMBL6189510 0.80 HTR2C (0.79) PNMTHTR2CHTR2BHTR2AADRA2A
SCHEMBL16210119 0.80 PNMT (0.57) PNMTHTR2CHTR2BHTR2AADRA2A
SCHEMBL11737280 0.77 PNMT (0.57) PNMTHTR2CHTR2BHTR2AADRA2A
SCHEMBL14925193 0.76 PNMT (0.54) PNMTHTR2CHTR2BHTR2AADRA2A
SCHEMBL915092 0.76 PNMT (0.69) PNMTHTR2CHTR2BHTR2ACD274
SCHEMBL22102585 0.75 HTR2C (0.41) HTR2CHTR2BHTR2A
SCHEMBL6168691 0.75 HTR2A (0.41) HTR2CHTR2BHTR2A
SCHEMBL29660392 0.75 HTR2A (0.41) HTR2CHTR2BHTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 WO disclosed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed