SCHEMBL9727061

SCHEMBL9727061

COc1ccc(CN2CCC(NC(=O)C=Cc3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.74
DRD2 P14416 1/20 0.74
HTR2A P28223 1/20 0.74
HTR2C P28335 1/20 0.74
HTR2B P41595 1/20 0.74
ALDH1A1 P00352 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
CCR3 P51677 2/20 0.67
BCHE P06276 1/20 0.66
ACHE P22303 1/20 0.66
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
DRD4 P21917 2/20 0.59
MCHR1 Q99705 1/20 0.58

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
SCHEMBL9727058 1.00 SIGMAR1 (0.74) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9727336 0.95 SIGMAR1 (0.65) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9727332 0.95 SIGMAR1 (0.65) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9852194 0.88 SIGMAR1 (0.58) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9852189 0.88 SIGMAR1 (0.58) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9727075 0.87 SIGMAR1 (0.61) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9727050 0.87 SIGMAR1 (0.61) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9727052 0.87 SIGMAR1 (0.61) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9727057 0.86 BCHE (0.57) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9727062 0.86 BCHE (0.57) SIGMAR1DRD2HTR2AHTR2CHTR2B

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
US-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US claimed
EP-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed