SCHEMBL9852057

SCHEMBL9852057

COc1ccc(CN2CCC(NC(=O)c3c(Cl)cccc3Cl)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.67
SIGMAR1 Q99720 2/20 0.65
MCHR1 Q99705 5/20 0.62
CCR3 P51677 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL9872559 0.84 DRD4 (0.78) DRD4SIGMAR1MCHR1CCR3MEN1
SCHEMBL9727182 0.83 DRD4 (0.64) DRD4SIGMAR1MCHR1CCR3ALDH1A1
SCHEMBL9727092 0.82 DRD4 (0.63) DRD4SIGMAR1MCHR1CCR3ALDH1A1
SCHEMBL9727190 0.82 DRD4 (0.62) DRD4SIGMAR1MCHR1CCR3
SCHEMBL9727147 0.82 SIGMAR1 (0.60) DRD4SIGMAR1MCHR1MEN1KMT2A
SCHEMBL9727145 0.82 SIGMAR1 (0.60) DRD4SIGMAR1MCHR1MEN1KMT2A
SCHEMBL9727102 0.82 SIGMAR1 (0.72) DRD4SIGMAR1MCHR1CCR3MEN1
SCHEMBL5862230 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL15171718 0.79 MCHR1 (0.71) DRD4SIGMAR1MCHR1CCR3KMT2A
SCHEMBL14492763 0.78 L3MBTL1 (0.67) DRD4SIGMAR1MCHR1L3MBTL1

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
EP-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed
US-5028616-A Antiarrhythmia Agents G. D. SEARLE & CO. (US) 1991-07-02 US disclosed