SCHEMBL11548165

SCHEMBL11548165

COc1cc(N)c(Br)cc1C(=O)NC1CCN(CC2CCCCC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.77
ACHE P22303 3/20 0.77

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
Hydrochloric Acid SCHEMBL11546863 0.99 HTR4 (0.76) HTR4ACHE
Hydrochloric Acid SCHEMBL11544323 0.91 HTR4 (0.64) HTR4ACHE
SCHEMBL6584868 0.90 HTR4 (0.64) HTR4ACHE
SCHEMBL6586459 0.90 HTR4 (0.66) HTR4ACHE
SCHEMBL7903250 0.89 HTR4 (0.65) HTR4ACHE
SCHEMBL6588484 0.89 HTR4 (0.65) HTR4ACHE
SCHEMBL11545317 0.88 HTR4 (0.78) HTR4
SCHEMBL17709625 0.87 HTR4 (1.00) HTR4ACHE
Hydrochloric Acid SCHEMBL11544953 0.87 HTR4 (0.77) HTR4
Hydrochloric Acid SCHEMBL11544697 0.87 HTR4 (0.77) HTR4

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
US-4163789-A Anti-psychotic (cycloalkenylalkylpiperidino) benzamides ANPHAR, S.A. (ES) 1979-08-07 US disclosed