SCHEMBL7265682

SCHEMBL7265682

COCCOc1cc(N)c(Cl)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
HTR4 Q13639 7/20 0.45
HTR3A P46098 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
SLC22A1 O15245 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL7267139 0.88 GAA (0.50) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL9458484 0.87 GAA (0.68) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL27264213 0.87 CYP3A4 (0.49) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL1804452 0.83 LMNA (0.51) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL15966727 0.81 KDM4E (0.45) CYP3A4SMN1; SMN2LMNAADRA2AHTR2B
SCHEMBL725809 0.81 GAA (0.73) GAAHTR4HTR3ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL724940 0.80 GAA (0.71) GAAHTR4HTR3ACYP1A2CYP2D6
SCHEMBL12505380 0.78 LMNA (0.48) GAATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL873953 0.78 KDM4E (0.53) GAACYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL9777127 0.77 HTR4 (0.79) HTR4HTR3ACYP1A2CYP2D6CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302699-A2 Improvements relating to n-substituted benzamides WALTON S.A. (ES) 1989-02-08 EP claimed