SCHEMBL6022774

SCHEMBL6022774

CN(C(=O)OCc1cccc2c1Cc1ccccc1-2)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ PNMT P11086 1/20 0.40
▸ ABCB1 P08183 2/20 0.39
▸ PTGER1 P34995 2/20 0.38
▸ PTGER4 P35408 2/20 0.38
▸ PTGER3 P43115 2/20 0.38
▸ PTGER2 P43116 2/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ PPARA Q07869 3/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 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
SCHEMBL6022733 1.00 ITGB3 (0.44) ITGB3ITGA2BPNMTABCB1PTGER1
SCHEMBL26981184 0.89 PNMT (0.41) ITGB3ITGA2BPNMTABCB1PTGER1
SCHEMBL28333729 0.89 PNMT (0.38) ITGB3ITGA2BPNMTABCB1PTGER1
SCHEMBL29168371 0.88 CTSK (0.40) ITGB3ITGA2BPNMTPTGER1PTGER4
SCHEMBL27658685 0.85 PNMT (0.38) ITGB3ITGA2BPNMTPTGER1PTGER4
SCHEMBL30940320 0.85 PNMT (0.43) PNMTABCB1PTGER1PTGER4PTGER3
SCHEMBL8775766 0.84 PNMT (0.38) ITGB3ITGA2BPNMTNPC1RAB9A
SCHEMBL31710582 0.83 NPC1 (0.39) ITGB3ITGA2BPNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL28300337 0.82 PNMT (0.38) ITGB3ITGA2BPNMTPTGER1PTGER4
Triphenylmethanol SCHEMBL15361971 0.82 PNMT (0.36) ITGB3ITGA2BPNMTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759786-B1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATIDE INC (US) 2006-09-27 — — EP disclosed
US-5985241-A DIAGNOSTIC AND RADIODIAGNOSTIC AGENTS, FORMED BY REACTING TECHNETIUM-99M WITH A SOMATOSTATIN RECEPTOR-BINDING PEPTIDE DIATIDE, INC. (US) 1999-11-16 — — US disclosed
US-5981477-A ADMINISTERING TO THE MAMMAL BEARING SOMATOSTATIN RECEPTOR EXPRESSING TUMOR, A METAL ION COMPLEXED SOMATOSTATIN RECEPTOR BINDING CYCLIC PEPTIDE DIATIDE, INC. (US) 1999-11-09 — — US disclosed
US-5972308-A REACTING TECHNETIUM-99 WITH A CYCLIC OLIGOPEPTIDE HAVING AMINO ACID UNITS CONTAINING A MERCAPTAN GROUP ATTACHED TO THE RING THROUGH A HOMOCYSTEINE UNIT. DIATIDE, INC. (US) 1999-10-26 — — US disclosed
US-5965108-A CYCLIC PEPTIDE-METAL COMPLEX SPECIFICALLY BINDS TO SURFACE SOMATOSTATIN RECEPTOR-EXPRESSING CELLS; RADIOLOGY; SCINTIGRAPHY; ANTITUMOR,-CARCINOGENIC AND METASTATIC AGENTS; STABILITY DIATIDE, INC. (US) 1999-10-12 — — US disclosed
US-5783170-A Peptide-metal chelate conjugates DIATIDE, INC. (US) 1998-07-21 — — US disclosed
EP-0759786-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1997-03-05 — — EP disclosed
WO-1995031221-A1 SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES DIATECH, INC. (US) 1995-11-23 — — WO disclosed
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