SCHEMBL4670787

SCHEMBL4670787

CN1CCC(NC(=O)C(N)Cc2cn(Cc3ccccc3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRHR P34981 1/20 0.43
TRHDE Q9UKU6 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
ALDH1A1 P00352 1/20 0.41
KRAS P01116 1/20 0.41
SOS1 Q07889 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
XIAP P98170 1/20 0.41
RIPK1 Q13546 2/20 0.41
SSTR4 P31391 1/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39

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
SCHEMBL4669277 0.81 SCN9A (0.49) DRD2
SCHEMBL4956555 0.77 ALPI (0.53) TRHRTRHDEXIAPCYP2C19
SCHEMBL289025 0.77 ALPI (0.53) TRHRTRHDEXIAPCYP2C19
SCHEMBL41832 0.77 ALPI (0.53) TRHRTRHDEXIAPCYP2C19
SCHEMBL6527840 0.77 CDK5 (0.47) TRHRTRHDECYP2C19
SCHEMBL6069460 0.77 CDK5 (0.47) TRHRTRHDECYP2C19
SCHEMBL5717571 0.76 CPB2 (0.47) TRHRTRHDEXIAPCYP2C19POLB
Hydrochloric Acid SCHEMBL7356305 0.76 CDK5 (0.46) TRHRTRHDECYP2C19
Hydrochloric Acid SCHEMBL6527843 0.76 CDK5 (0.46) TRHRTRHDECYP2C19
Hydrochloric Acid SCHEMBL6527838 0.76 CDK5 (0.46) TRHRTRHDECYP2C19

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-1903052-A2 APJ receptor ligands and uses thereof Faust Pharmaceuticals SA (FR) 2008-03-26 EP disclosed