SCHEMBL1729971

SCHEMBL1729971

CNC(=O)CN(CCC1CCN(c2cncc3ccccc23)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.42
CYP11B1 P15538 8/20 0.42
CDK8 P49336 2/20 0.40
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
CYP46A1 Q9Y6A2 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
PHGDH O43175 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36

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
SCHEMBL1727927 0.82 HRH4 (0.44) DRD2ACACBPHGDH
SCHEMBL1730154 0.81 DRD2 (0.42) HTR1ADRD2HTR2AACACBACACA
SCHEMBL1729260 0.80 HTR3A (0.42) ACACBACACACKS1BSKP1SKP2
SCHEMBL1728164 0.80 KDM4E (0.45) ACACBACACA
SCHEMBL1730124 0.79 CHRM4 (0.46) DRD2HTR2AHTR7HTR6CKS1B
SCHEMBL1730192 0.78 CKS1B (0.46) ACACBACACACKS1BSKP1SKP2
SCHEMBL1727922 0.77 DRD2 (0.46) HTR1ADRD2HTR2A
SCHEMBL1727727 0.77 MAP4K4 (0.40) DRD2ACACBCKS1BSKP1SKP2
SCHEMBL237971 0.77 CYP11B2 (0.44) CYP11B2CYP11B1CDK8HTR1ADRD2
SCHEMBL1728859 0.77 CYP11B2 (0.48) CYP11B2CYP11B1CDK8HTR1ADRD2

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed