SCHEMBL7324660

SCHEMBL7324660

CCCCNC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 5/20 0.68
GNAI3 P08754 1/20 0.59
GNAO1 P09471 1/20 0.59
GNAI1 P63096 1/20 0.59
RRM1 P23921 1/20 0.58
NOD1 Q9Y239 2/20 0.49
SLC15A1 P46059 1/20 0.46
S1PR2 O95136 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR5 Q9H228 1/20 0.44
DPP4 P27487 3/20 0.43
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 3/20 0.43
NPY4R P50391 6/20 0.41
NPY1R P25929 5/20 0.41
NPY2R P49146 4/20 0.41
NPY5R Q15761 4/20 0.41
NOS1 P29475 1/20 0.39

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
SCHEMBL7324651 1.00 DPP7 (0.68) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL27114206 0.95 DPP7 (0.76) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL24420660 0.94 DPP7 (0.73) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL27115127 0.94 DPP7 (0.73) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL19371883 0.94 DPP7 (0.63) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL23626315 0.90 DPP7 (0.61) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL23610947 0.90 DPP7 (0.61) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL13062154 0.89 DPP7 (0.56) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL2304732 0.89 DPP7 (0.56) DPP7GNAI3GNAO1GNAI1RRM1
Hydrochloric Acid SCHEMBL9556545 0.87 DPP7 (0.54) DPP7GNAI3GNAO1GNAI1RRM1

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-0273645-A2 Novel derivatives of arginine vasopressin antagonists THE MEDICAL COLLEGE OF OHIO (US) 1988-07-06 EP disclosed