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SCHEMBL5167437

SCHEMBL5167437

CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 13/20 0.67
▸ PTGS1 P23219 1/20 0.60
▸ GNRHR P30968 2/20 0.57
▸ CXCR4 P61073 2/20 0.55
▸ ABCC2 Q92887 1/20 0.55

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
SCHEMBL5167427 1.00 KISS1R (0.67) KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL30567819 0.96 KISS1R (0.64) KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11100120 0.96 KISS1R (0.66) KISS1RPTGS1GNRHRCXCR4
SCHEMBL11126892 0.94 KISS1R (0.64) KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11270601 0.94 KISS1R (0.64) KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11096187 0.94 KISS1R (0.64) KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL11122441 0.94 KISS1R (0.64) KISS1RPTGS1GNRHRCXCR4ABCC2
SCHEMBL1307858 0.94 KISS1R (0.58) KISS1RPTGS1GNRHRCXCR4
SCHEMBL30567818 0.94 KISS1R (0.58) KISS1RPTGS1GNRHRCXCR4
Hydrochloric Acid SCHEMBL11644315 0.93 KISS1R (0.57) KISS1RPTGS1GNRHRCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007080-B1 Formulation for the sustained release of peptide agonists and analogues of GnRH PEPTECH LTD (AU) 2007-04-18 — — EP disclosed
EP-1007080-A4 SUSTAINED PEPTIDE-RELEASE FORMULATION PEPTECH LTD (AU) 2006-01-18 — — EP disclosed
EP-1007080-A1 SUSTAINED PEPTIDE-RELEASE FORMULATION Peptech Limited (AU) 2000-06-14 — — EP disclosed
WO-1998008533-A1 SUSTAINED PEPTIDE-RELEASE FORMULATION PEPTECH LIMITED (AU) 1998-03-05 — — WO disclosed