SCHEMBL10548780

SCHEMBL10548780

CCCCCCCCCCNC(=O)[C@@H](N)C(C)CC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.57
RRM1 P23921 1/20 0.57
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
EPHX1 P07099 8/20 0.50
S1PR2 O95136 2/20 0.50
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
S1PR5 Q9H228 1/20 0.50
MMP8 P22894 1/20 0.50
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
CASP2 P42575 1/20 0.46
METAP2 P50579 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 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
SCHEMBL10551446 1.00 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL5867315 1.00 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL5867316 1.00 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL10548785 1.00 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL14593722 1.00 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL10551440 1.00 DPP7 (0.57) DPP7RRM1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL7773480 0.98 DPP7 (0.56) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL10448381 0.93 DPP7 (0.51) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL3667775 0.88 RRM1 (0.44) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL3665407 0.86 DPP7 (0.45) DPP7RRM1GNAI3GNAO1GNAI1

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
US-4831038-A ANTITUMOR ALKALOIDS IRE-CELLTARG S.A. (BE) 1989-05-16 US disclosed