SCHEMBL9727102

SCHEMBL9727102

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.72
DRD4 P21917 2/20 0.65
MCHR1 Q99705 8/20 0.64
HRH3 Q9Y5N1 1/20 0.64
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CCR3 P51677 1/20 0.59
LTA4H P09960 2/20 0.59
KCNH2 Q12809 1/20 0.59
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 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
SCHEMBL9871216 0.87 LTA4H (0.60) SIGMAR1HRH3LTA4HKCNH2ALDH1A1
SCHEMBL16572276 0.85 BCHE (0.61) SIGMAR1DRD4MCHR1LTA4HKCNH2
SCHEMBL12184810 0.85 SIGMAR1 (0.67) SIGMAR1DRD4MCHR1KMT2ALTA4H
SCHEMBL9852171 0.84 SIGMAR1 (0.65) SIGMAR1DRD4MCHR1HRH3MEN1
SCHEMBL9872559 0.84 DRD4 (0.78) SIGMAR1DRD4MCHR1MEN1KMT2A
SCHEMBL5862230 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9852165 0.84 SIGMAR1 (0.65) SIGMAR1DRD4MCHR1HRH3MEN1
SCHEMBL7475783 0.84 SIGMAR1 (0.65) SIGMAR1DRD4MCHR1HRH3MEN1
SCHEMBL4592089 0.83 SIGMAR1 (0.68) SIGMAR1DRD4MCHR1KMT2ALTA4H
SCHEMBL3164487 0.83 SIGMAR1 (0.74) SIGMAR1DRD4MCHR1MEN1KMT2A

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
US-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
US-5053413-A Antiarrhythmia agent G. D. SEARLE & CO. (US) 1991-10-01 US disclosed
EP-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP disclosed