SCHEMBL9727092

SCHEMBL9727092

COc1ccc(CN2CCC(NC(=O)c3cccs3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.63
SIGMAR1 Q99720 1/20 0.63
DRD2 P14416 2/20 0.61
DRD3 P35462 2/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MCHR1 Q99705 5/20 0.59
UTS2R Q9UKP6 1/20 0.58
HPGD P15428 1/20 0.56
CCR3 P51677 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL12642617 0.86 ALDH1A1 (0.65) SIGMAR1ALDH1A1KDM4EUTS2RHPGD
SCHEMBL19463258 0.86 KDM4E (0.79) DRD4SIGMAR1DRD2ALDH1A1KDM4E
SCHEMBL9852057 0.82 DRD4 (0.67) DRD4SIGMAR1ALDH1A1MCHR1CCR3
SCHEMBL9872559 0.82 DRD4 (0.78) DRD4SIGMAR1MCHR1CCR3SMN1; SMN2
SCHEMBL9727424 0.81 DRD4 (0.69) DRD4SIGMAR1MCHR1UTS2RCCR3
SCHEMBL9727102 0.80 SIGMAR1 (0.72) DRD4SIGMAR1ALDH1A1MCHR1CCR3
SCHEMBL5862230 0.77 SIGMAR1 (1.00) SIGMAR1
SCHEMBL10511765 0.75 HTR7 (0.64) DRD4SIGMAR1DRD2DRD3ALDH1A1
SCHEMBL7475783 0.75 SIGMAR1 (0.65) DRD4SIGMAR1ALDH1A1MCHR1CCR3
SCHEMBL9852171 0.75 SIGMAR1 (0.65) DRD4SIGMAR1DRD2ALDH1A1MCHR1

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