SCHEMBL7443155

SCHEMBL7443155

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.48
NPY1R P25929 10/20 0.48
NPY5R Q15761 7/20 0.48
NPY2R P49146 5/20 0.48
DPP7 Q9UHL4 2/20 0.39
NOD1 Q9Y239 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL1227661 0.89 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL7448599 0.89 DPP7 (0.49) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL16316768 0.85 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL29447204 0.84 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL6366210 0.83 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL6362150 0.83 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL29947131 0.83 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL6366206 0.83 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL19267519 0.83 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RDPP7
SCHEMBL29947199 0.83 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RDPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063819-A PROTECTING NEURONS FROM DAMAGE BY ADMINISTERING TO HUMANS POLYGUADINO COMPOUNDS CYPROS PHARMACEUTICAL CORP. (US) 2000-05-16 US disclosed
WO-1998036743-A1 NEUROPROTECTIVE POLY-GUANIDINO COMPOUNDS WHICH BLOCK PRESYNAPTIC N AND P/Q CALCIUM CHANNELS CYPROS PHARMACEUTICAL CORPORATION (US) 1998-08-27 WO disclosed