SCHEMBL7327484

SCHEMBL7327484

N=C(N)NCCC[C@H](N)C(=O)NCCN

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.53
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53
RRM1 P23921 1/20 0.51
NOS1 P29475 1/20 0.46
NPY4R P50391 4/20 0.39
NPY1R P25929 3/20 0.39
NPY2R P49146 2/20 0.39
NPY5R Q15761 2/20 0.39
TERT O14746 4/20 0.39
LTA4H P09960 1/20 0.38
MMP2 P08253 1/20 0.37
OTC P00480 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL17301799 1.00 DPP7 (0.53) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL23626315 0.91 DPP7 (0.61) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL23610947 0.91 DPP7 (0.61) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL19362563 0.90 GNAI3 (0.66) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL20094945 0.89 GNAI3 (0.63) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL14141508 0.88 GNAI3 (0.51) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL6863515 0.88 GNAI3 (0.55) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL27558294 0.88 GNAI3 (0.55) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL5965172 0.86 GNAI3 (0.57) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL5965228 0.86 GNAI3 (0.57) 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