SCHEMBL3666097

SCHEMBL3666097

NCCCCCCN(CCCCCCN)Cc1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46

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
SCHEMBL16390835 1.00 MAOA (0.52) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL17527067 1.00 MAOA (0.52) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL17508108 0.98 MAOA (0.54) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL17527074 0.96 MAOA (0.52) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL1983580 0.96 HDAC3 (0.54) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL8708196 0.96 HDAC3 (0.54) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL8993155 0.96 HDAC3 (0.54) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL8027241 0.96 HDAC3 (0.50) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL5741392 0.94 MAOA (0.54) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL713789 0.92 CARM1 (0.53) MAOAHDAC3HDAC1HDAC2HDAC8

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-2139461-A2 AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER Recepticon Aps (DK) 2010-01-06 EP disclosed
WO-2008113364-A2 AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER RECEPTICON APS (DK) 2008-09-25 WO disclosed