SCHEMBL9790000

SCHEMBL9790000

COc1cc(Cl)c(N)cc1C(=O)N[C@H]1CCNC[C@H]1OC

nearest known ligand 0.92

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.92
HTR3A P46098 4/20 0.92
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR5A P47898 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.52
KCNH2 Q12809 2/20 0.51

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
SCHEMBL9789995 1.00 HTR4 (0.92) HTR4HTR3AHTR3EHTR3BHTR5A
SCHEMBL9789990 1.00 HTR4 (0.92) HTR4HTR3AHTR3EHTR3BHTR5A
Norcisapride SCHEMBL734363 0.96 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR5A
Norcisapride SCHEMBL593405 0.96 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR5A
Norcisapride SCHEMBL3317329 0.96 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR5A
Norcisapride SCHEMBL8245159 0.96 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR5A
Ticalopride SCHEMBL17208 0.96 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR5A
Norcisapride SCHEMBL3319911 0.96 HTR4 (1.00) HTR4HTR3AHTR3EHTR3BHTR5A
Ticalopride SCHEMBL6847230 0.89 HTR4 (0.85) HTR4HTR3AHTR3EHTR3BHTR5A
SCHEMBL2739061 0.86 HTR4 (0.79) HTR4HTR3AHTR3EHTR3BHTR5A

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-4990521-A Treating diarhea JANSSEN PHARMACEUTICA (BE) 1991-02-05 US disclosed
EP-0251417-A2 4-(aroylamino) piperidinebutanamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-01-07 EP disclosed