SCHEMBL8365389

SCHEMBL8365389

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.71
▸ PDF Q9HBH1 1/20 0.57
▸ CALCRL Q16602 1/20 0.49
▸ MMP1 P03956 1/20 0.45
▸ FCER2 P06734 1/20 0.45
▸ OPRK1 P41145 4/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ GHSR Q92847 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ PSMB5 P28074 1/20 0.43

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
SCHEMBL10439499 1.00 SSTR3 (0.71) SSTR3PDFCALCRLMMP1FCER2
SCHEMBL8405097 0.92 SSTR3 (0.70) SSTR3PDFCALCRLMMP1FCER2
SCHEMBL8000347 0.91 PDF (0.67) SSTR3PDFSMN1; SMN2
SCHEMBL29512267 0.89 SSTR3 (0.57) SSTR3PDFMMP1FCER2OPRK1
SCHEMBL27750016 0.87 PDF (0.61) SSTR3PDFMMP1OPRK1OPRM1
SCHEMBL386663 0.87 PDF (0.61) SSTR3PDFMMP1OPRK1OPRM1
SCHEMBL547491 0.87 PDF (0.61) SSTR3PDFMMP1OPRK1OPRM1
Hydrochloric Acid SCHEMBL3481900 0.86 PDF (0.60) SSTR3PDFMMP1OPRK1OPRM1
Hydrochloric Acid SCHEMBL3482618 0.86 PDF (0.60) SSTR3PDFMMP1OPRK1OPRM1
Hydrochloric Acid SCHEMBL8853773 0.86 PDF (0.60) SSTR3PDFMMP1OPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808458-A4 DIOXETANE COMPOUNDS FOR THE CHEMILUMINESCENT DETECTION OF PROTEASES, METHODS OF USE AND KITS THEREFORE TROPIX INC (US) 1999-06-09 — — EP disclosed
US-5871938-A DETECTION OF PROTEASE, INCUBATION, BONDING TO DNA AND ANTIBODIES TROPIX, INC. (US) 1999-02-16 — — US disclosed
US-5843681-A Dioxetane compounds for the chemiluminescent detection of proteases, methods of use and kits therefore TROPIX, INC. (US) 1998-12-01 — — US disclosed
EP-0808458-A1 DIOXETANE COMPOUNDS FOR THE CHEMILUMINESCENT DETECTION OF PROTEASES, METHODS OF USE AND KITS THEREFORE TROPIX, INC. (US) 1997-11-26 — — EP disclosed
US-5591591-A Dioxetane compounds for the chemiluminescent detection of proteases, methods of use and kits therefore TROPIX, INC. (US) 1997-01-07 — — US disclosed
WO-1996024849-A1 DIOXETANE COMPOUNDS FOR THE CHEMILUMINESCENT DETECTION OF PROTEASES, METHODS OF USE AND KITS THEREFORE TROPIX, INC. (US) 1996-08-15 — — WO disclosed
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