SCHEMBL8801807

SCHEMBL8801807

COc1cc(N)c(Cl)cc1C(=O)OC(C)C1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
HTR4 Q13639 4/20 0.49
ACHE P22303 1/20 0.47

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
SCHEMBL8803961 0.83 SLC6A3 (0.48) HTR4ACHE
SCHEMBL8803576 0.78 HTR4 (0.54) HTR4
SCHEMBL10512041 0.76 SLC6A3 (0.46)
SCHEMBL10721778 0.76 HTR4 (0.56) HTR4
SCHEMBL9406887 0.74 HTR4 (0.54) HTR4
SCHEMBL27770700 0.72 KMT2A (0.51)
SCHEMBL10508162 0.72 ALDH1A1 (0.44)
SCHEMBL9342410 0.72 HTR4 (0.47) GAAHTR4
SCHEMBL1502421 0.72 HTR4 (0.67) HTR4
SCHEMBL384749 0.70 GAA (1.00) GAAHTR4

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-0499995-B1 Piperidine derivatives NISSHIN FLOUR MILLING CO (JP) 1997-01-02 EP disclosed
US-5246945-A 5-hydroxytryptamine antagonist for nervous system disorders NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-09-21 US disclosed
EP-0499995-A2 Piperidine derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-08-26 EP disclosed