SCHEMBL8228993

SCHEMBL8228993

COc1c(C(=O)NCC2CCNCC2C(O)C2CCCO2)cc(Cl)c(N)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.42
HTR3A P46098 3/20 0.38
DRD2 P14416 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.34
SLC6A2 P23975 2/20 0.34

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
SCHEMBL8198871 0.83 HTR4 (0.40) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL6777227 0.81 HTR4 (0.50) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL6777223 0.81 HTR4 (0.50) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL6777235 0.81 HTR4 (0.50) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL8214403 0.78 HTR4 (0.47) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL6887788 0.71 KDM4E (0.43) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL6887806 0.71 KDM4E (0.43) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL6887794 0.71 KDM4E (0.43) HTR4HTR3ADRD2HTR3EHTR3B
SCHEMBL8218178 0.70 HTR4 (0.45) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL13607704 0.68 HTR4 (0.42) HTR4HTR3ADRD2HTR3EHTR3B

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-1000028-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002494-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 WO disclosed