SCHEMBL9705203

SCHEMBL9705203

Cn1cc(C(=O)NC2CC3CC4C[C@@H](C2)N3C[C@H]4OS(C)(=O)=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 16/20 0.53
NR4A2 P43354 1/20 0.44

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
SCHEMBL9705217 0.83 HTR3A (0.52) HTR3A
SCHEMBL9705213 0.83 HTR3A (0.52) HTR3A
SCHEMBL8323356 0.82 ALDH1A1 (0.61) HTR3A
SCHEMBL8323360 0.82 ALDH1A1 (0.61) HTR3A
SCHEMBL8319125 0.81 HTR3A (0.52) HTR3ANR4A2
SCHEMBL8319129 0.81 HTR3A (0.52) HTR3ANR4A2
SCHEMBL8320783 0.80 HTR3A (0.41) HTR3A
SCHEMBL10388774 0.74 HTR3A (0.67) HTR3A
Hydrochloric Acid SCHEMBL10389213 0.73 HTR3A (0.66) HTR3A
SCHEMBL3462908 0.70 RAB9A (0.77)

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
EP-0518767-A2 Derivatives of amide analogs of certain methano bridged quinolizines MERRELL PHARMACEUTICALS INC. (US) 1992-12-16 EP disclosed