SCHEMBL1730249

SCHEMBL1730249

NC(=O)CN(CCC1CCN(c2cc3ccccc3cn2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.42
▸ AOC3 Q16853 1/20 0.39
▸ CKS1B P61024 9/20 0.39
▸ SKP1 P63208 9/20 0.39
▸ SKP2 Q13309 9/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ DGAT1 O75907 2/20 0.37
▸ CHRM4 P08173 2/20 0.37

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
SCHEMBL1729260 0.87 HTR3A (0.42) HTR3ACKS1BSKP1SKP2CHRM4
SCHEMBL1729037 0.84 HCAR2 (0.46) HTR3ACKS1BSKP1SKP2SMN1; SMN2
SCHEMBL1727953 0.83 PDE10A (0.45) HTR3ASMN1; SMN2
SCHEMBL1729269 0.83 AKR1C3 (0.45) HTR3ACHRM4
SCHEMBL1728042 0.83 RXRA (0.46) AOC3CKS1BSKP1SKP2CHRM4
SCHEMBL1730190 0.81 CHRM4 (0.44) AOC3KDM1ATNFLMNASTAT3
SCHEMBL1730164 0.81 DEGS1 (0.47) AOC3KDM1ATNFLMNASTAT3
SCHEMBL1727572 0.80 CNR1 (0.41) AOC3CKS1BSKP1SKP2
SCHEMBL1729384 0.80 DPP4 (0.44) —
SCHEMBL1727978 0.80 KDM1A (0.43) AOC3KDM1ALMNASMN1; SMN2DGAT1

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
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