SCHEMBL27558294

SCHEMBL27558294

N=C(N)NCCCC(N)C(=O)NCCCCNCCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.55
GNAO1 P09471 1/20 0.55
GNAI1 P63096 1/20 0.55
DPP7 Q9UHL4 2/20 0.51
RRM1 P23921 1/20 0.50
NOS1 P29475 1/20 0.48
MMP2 P08253 1/20 0.39
TERT O14746 2/20 0.39
CA12 O43570 2/20 0.38
F13A1 P00488 2/20 0.38
CA2 P00918 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
THPO P40225 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38

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
SCHEMBL6863515 1.00 GNAI3 (0.55) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL14141508 0.97 GNAI3 (0.51) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965228 0.96 GNAI3 (0.57) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5965172 0.96 GNAI3 (0.57) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL20094945 0.92 GNAI3 (0.63) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL19362563 0.91 GNAI3 (0.66) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL23610947 0.89 DPP7 (0.61) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL23626315 0.89 DPP7 (0.61) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7327484 0.88 DPP7 (0.53) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL17301799 0.88 DPP7 (0.53) GNAI3GNAO1GNAI1DPP7RRM1

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
CN-1284058-A Neuroprotective agents UNIV SOUTHAMPTON (GB) 2001-02-14 CN disclosed