SCHEMBL9727149

SCHEMBL9727149

CCCOc1ccc(CN2CCC(NC(=O)c3occ4ccccc34)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.58
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MCHR1 Q99705 2/20 0.51
UTS2R Q9UKP6 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAOB P27338 3/20 0.48

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
SCHEMBL9727095 0.90 DRD4 (0.72) DRD4ALDH1A1SMN1; SMN2MCHR1SIGMAR1
SCHEMBL9727135 0.85 DRD4 (0.67) DRD4MCHR1SIGMAR1MAOB
Dimethylamine SCHEMBL9852061 0.85 DRD4 (0.63) DRD4MEN1KMT2AMCHR1SIGMAR1
SCHEMBL9727123 0.85 DRD4 (0.69) DRD4SMN1; SMN2MCHR1SIGMAR1MAOB
SCHEMBL9727173 0.85 SIGMAR1 (0.57) DRD4MCHR1SIGMAR1MAOB
SCHEMBL9852073 0.82 DRD4 (0.54) DRD4KDM4EALDH1A1KMT2AMCHR1
SCHEMBL9871439 0.81 UTS2R (0.69) DRD4MEN1KMT2AMCHR1UTS2R
Iodide SCHEMBL9852255 0.81 DRD4 (0.60) DRD4SMN1; SMN2MCHR1SIGMAR1MAOB
SCHEMBL9852082 0.81 DRD4 (0.73) DRD4MCHR1SIGMAR1MAOB
SCHEMBL9483648 0.81 DRD4 (0.52) DRD4KMT2AMCHR1MAOB

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