SCHEMBL7254103

SCHEMBL7254103

COc1nc(N)c(Cl)cc1CC(=O)CC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.42
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
ACHE P22303 2/20 0.37
HTR3A P46098 1/20 0.36
JAK1 P23458 5/20 0.35
JAK3 P52333 5/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
TYK2 P29597 3/20 0.35
AURKB Q96GD4 3/20 0.35
SYK P43405 2/20 0.35
JAK2 O60674 3/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CHEK1 O14757 1/20 0.33
CHRM1 P11229 2/20 0.33

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
Hydrochloric Acid SCHEMBL7257861 0.99 HTR4 (0.41) HTR4DRD2DRD4ACHEHTR3A
SCHEMBL7257987 0.81 DRD2 (0.44) HTR4DRD2DRD4ACHE
SCHEMBL7254146 0.81 HTR4 (0.48) HTR4DRD2DRD4ACHEHTR3A
SCHEMBL7257694 0.81 DRD2 (0.37) HTR4DRD2DRD4CDK2
SCHEMBL7358352 0.80 HTR4 (0.59) HTR4DRD2DRD4ACHEHTR3A
SCHEMBL6328956 0.76 HTR4 (0.66) HTR4ACHE
SCHEMBL6329778 0.75 HTR4 (0.67) HTR4DRD2HTR3ACHRM1
Hydrochloric Acid SCHEMBL6329100 0.75 HTR4 (0.65) HTR4ACHE
SCHEMBL7254109 0.70 SLC6A2 (0.47) HTR4DRD2ACHE
Hydrochloric Acid SCHEMBL7257864 0.70 SLC6A2 (0.49) HTR4DRD2ACHE

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
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO disclosed