SCHEMBL4060441

SCHEMBL4060441

NC(=O)c1nccnc1N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL23536762 0.85 HTR2C (0.44) HTR2CEPHX2KDM4EALDH1A1
SCHEMBL31736542 0.85 HTR2C (0.44) HTR2CEPHX2KDM4EALDH1A1
SCHEMBL28145053 0.84 SIRT2 (0.43) PIM1PIM3KDM4EALDH1A1
SCHEMBL5754262 0.83 SIRT2 (0.46) PIM1PIM3KDM4EALDH1A1
SCHEMBL29546527 0.83 SIRT2 (0.46) PIM1PIM3KDM4EALDH1A1
SCHEMBL15733283 0.80 AURKA (0.47) KDM4E
SCHEMBL31687675 0.80 MEN1 (0.42) ALDH1A1
SCHEMBL2351827 0.79 CHRNB2 (0.41) HTR2CCHRNB2CHRNA4
SCHEMBL13116668 0.78 HTR2C (0.56) HTR2CEPHX2KDM4EALDH1A1
SCHEMBL4805575 0.77 EPHX2 (0.40) HTR2CPIM1PIM3EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079756-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF Cara Therapeutics, Inc. (US) 2009-07-22 EP disclosed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO disclosed