SCHEMBL9727424

SCHEMBL9727424

COc1ccc(CN2CCC(NC(=O)c3cc4ccccc4s3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.69
UTS2R Q9UKP6 5/20 0.61
MCHR1 Q99705 6/20 0.61
SIGMAR1 Q99720 1/20 0.60
CCR3 P51677 1/20 0.56

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
SCHEMBL9727092 0.81 DRD4 (0.63) DRD4UTS2RMCHR1SIGMAR1CCR3
SCHEMBL9872559 0.80 DRD4 (0.78) DRD4MCHR1SIGMAR1CCR3
SCHEMBL9727091 0.79 DRD4 (0.70) DRD4UTS2RMCHR1SIGMAR1CCR3
SCHEMBL9852057 0.78 DRD4 (0.67) DRD4MCHR1SIGMAR1CCR3
SCHEMBL9727095 0.77 DRD4 (0.72) DRD4MCHR1SIGMAR1CCR3
SCHEMBL9727182 0.77 DRD4 (0.64) DRD4MCHR1SIGMAR1CCR3
SCHEMBL9727082 0.77 DRD4 (0.64) DRD4MCHR1SIGMAR1CCR3
SCHEMBL9727136 0.76 DRD4 (0.67) DRD4
SCHEMBL9727102 0.76 SIGMAR1 (0.72) DRD4MCHR1SIGMAR1CCR3
SCHEMBL5862230 0.76 SIGMAR1 (1.00) SIGMAR1

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