SCHEMBL1728883

SCHEMBL1728883

CNC(=O)CN(CCC1CCN(c2ccc3ncccc3n2)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
SMO Q99835 1/20 0.39
ACACB O00763 5/20 0.38
ACACA Q13085 5/20 0.38
PDE10A Q9Y233 9/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.37
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
PDE2A O00408 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
SCHEMBL1730192 0.89 CKS1B (0.46) ACACBACACAPDE10AMAPTCKS1B
SCHEMBL1728164 0.89 KDM4E (0.45) MAP4K4ACACBACACAPDE10AKCNH2
SCHEMBL1727898 0.85 ACACB (0.40) MAP4K4ACACBACACAMAPTKCNH2
SCHEMBL1727922 0.84 DRD2 (0.46)
SCHEMBL1727890 0.84 HTR1A (0.40) MAP4K4SMOACACBACACAPDE10A
SCHEMBL1727647 0.84 MAP4K4 (0.40) MAP4K4ACACBACACAPDE10AMAPT
SCHEMBL1729306 0.83 HRH3 (0.46) MAP4K4SMOACACBACACAPDE10A
SCHEMBL1727727 0.82 MAP4K4 (0.40) MAP4K4ACACBCKS1BSKP1SKP2
SCHEMBL1728923 0.82 HRH3 (0.49) MAP4K4ACACBACACAMAPT
SCHEMBL1728683 0.82 DRD3 (0.40) MAP4K4ACACBACACAPDE10AKCNH2

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