SCHEMBL25212417

SCHEMBL25212417

CCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc2c(c1)CNCC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.54
HTR2C P28335 7/20 0.50
HTR2B P41595 5/20 0.50
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CYP3A4 P08684 1/20 0.42
NMT1 P30419 1/20 0.42
CHRM5 P08912 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL25266925 1.00 PNMT (0.54) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL31528391 1.00 PNMT (0.54) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL25211756 0.89 PNMT (0.49) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL30471102 0.89 PNMT (0.49) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL25266762 0.89 PNMT (0.49) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL30471115 0.85 PNMT (0.57) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL25252542 0.85 PNMT (0.57) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL25252543 0.85 PNMT (0.57) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL25270057 0.85 HTR2C (0.47) PNMTHTR2CHTR2BADRA2AADRA2B
SCHEMBL25212804 0.85 HTR2C (0.47) PNMTHTR2CHTR2BADRA2AADRA2B

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-4436664-A1 ANTAGONISTS OF CAV 2.3 Lario Therapeutics Limited (GB) 2024-10-02 EP disclosed
WO-2023094828-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed