SCHEMBL7539239

SCHEMBL7539239

NCC(N)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.48
FDPS P14324 2/20 0.32
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
KCNA5 P22460 2/20 0.30
CYP2C19 P33261 2/20 0.30
KCNH2 Q12809 2/20 0.30
KCNE1 P15382 1/20 0.30

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
SCHEMBL486442 0.76 DPP7 (0.47) DPP7FDPSANPEPERAP2
SCHEMBL10507063 0.74 DPP7 (0.35) DPP7FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL28783707 0.74 NCF1 (0.36) CYP2D6KCNH2
SCHEMBL3554194 0.74 KMT2A (0.48) DPP7ANPEPERAP2CYP2D6CYP2C19
SCHEMBL3720186 0.74 DPP4 (0.42) ANPEP
SCHEMBL2052871 0.74 MEN1 (0.34) CYP2D6
SCHEMBL7449651 0.74 KMT2A (0.48) DPP7ANPEPERAP2CYP2D6CYP2C19
SCHEMBL28816065 0.74 DPP7 (0.41) DPP7
SCHEMBL689188 0.72
SCHEMBL3221178 0.72

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-2002030906-A1 ANTI-TUMOUR COMPOUNDS LA TROBE UNIVERSITY (AU) 2002-04-18 WO disclosed