SCHEMBL2492484

SCHEMBL2492484

N[C@@H](CCCN1CCCCC1)C(=O)NCc1ccccc1.N[C@@H](CCCN1CCCCC1)C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR2 P41597 4/20 0.47
SIGMAR1 Q99720 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
MMP2 P08253 1/20 0.45

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
SCHEMBL266922 1.00 POLB (0.53) POLBKMT2ACYP3A4CYP2D6TP53
SCHEMBL272227 1.00 POLB (0.53) POLBKMT2ACYP3A4CYP2D6TP53
SCHEMBL14543840 0.79 OPRL1 (0.66) CYP3A4CYP2D6TP53CYP1A2TSHR
SCHEMBL267764 0.78 RAD52 (0.48) CYP3A4CYP2D6TP53CYP1A2TSHR
SCHEMBL8526418 0.78 MMP2 (0.64) KMT2ACYP2D6CYP1A2TSHRMMP2
SCHEMBL9275540 0.78 MMP2 (0.64) KMT2ACYP2D6CYP1A2TSHRMMP2
SCHEMBL5555507 0.78 SLC1A1 (0.57) KMT2ACYP2D6CYP1A2TSHRMMP2
SCHEMBL13151621 0.77 MMP2 (0.52) KMT2ACYP2D6MMP2
SCHEMBL16103702 0.77 MMP2 (0.52) KMT2ACYP2D6MMP2
SCHEMBL7272130 0.77 SPHK1 (0.61) POLBKMT2ADPP7MMP2

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-1864994-B1 PAR-2 AGONIST KOWA CO (JP) 2011-10-26 EP disclosed