SCHEMBL3706360

SCHEMBL3706360

NCCC(Cc1ccccc1)NCC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CTRB1 P17538 1/20 0.46
MMP2 P08253 4/20 0.44
MDM2 Q00987 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIN1 Q13526 2/20 0.41
CTSL P07711 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 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
SCHEMBL8820357 0.83 MAPK1 (0.51) DPP4SIGMAR1CTRB1MDM2KDM4E
SCHEMBL3058398 0.82 DPP4 (0.47) DPP4SIGMAR1CTRB1MMP2MDM2
SCHEMBL3059934 0.82 DPP4 (0.47) DPP4SIGMAR1CTRB1MMP2MDM2
SCHEMBL3045267 0.82 DPP4 (0.47) DPP4SIGMAR1CTRB1MMP2MDM2
SCHEMBL3056941 0.82 EPHX2 (0.52) SIGMAR1CTRB1HPGDSMN1; SMN2PIN1
SCHEMBL3040918 0.82 EPHX2 (0.52) SIGMAR1CTRB1HPGDSMN1; SMN2PIN1
SCHEMBL14628078 0.77 DPP4 (0.47) DPP4MMP2KDM4EMEN1CYP3A4
SCHEMBL17944509 0.75 SIGMAR1 (0.51) SIGMAR1MMP2MDM2KDM4EMEN1
SCHEMBL7468481 0.75 SIGMAR1 (0.51) SIGMAR1MMP2MDM2KDM4EMEN1
SCHEMBL3790431 0.74 SIGMAR1 (0.55) SIGMAR1

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
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 WO disclosed