SCHEMBL7286583

SCHEMBL7286583

COC(=O)C[C@@H]1C[C@@H](CCNC(=O)N2CCc3ccc(C#N)cc3CC2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.47
CHRM4 P08173 8/20 0.37
DRD2 P14416 5/20 0.35
DRD3 P35462 5/20 0.35
DRD4 P21917 2/20 0.35
OPRM1 P35372 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL7275479 0.96 NAMPT (0.52) NAMPTCHRM4DRD2DRD3DRD4
SCHEMBL7284819 0.93 NAMPT (0.45) NAMPTDRD2DRD3DRD4OPRM1
SCHEMBL7287239 0.89 NAMPT (0.49) NAMPTDRD2DRD3DRD4OPRM1
Hydrochloric Acid SCHEMBL9254383 0.86 ITGB3 (0.36) OPRM1
Hydrochloric Acid SCHEMBL7283820 0.86 ITGB3 (0.36) OPRM1
Hydrochloric Acid SCHEMBL7277803 0.82 NAMPT (0.37) NAMPT
SCHEMBL7272741 0.82 NAMPT (0.42) NAMPTCHRM4DRD2DRD3DRD4
SCHEMBL7281190 0.81 NAMPT (0.42) NAMPTCHRM4DRD2DRD3DRD4
SCHEMBL7275126 0.79 LMNA (0.45) DRD2DRD3
SCHEMBL7283150 0.79 CHRM4 (0.37) NAMPTCHRM4DRD4OPRM1HTR1A

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-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed