SCHEMBL8341607

SCHEMBL8341607

CC(C)CC(N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.55
▸ KEAP1 Q14145 3/20 0.55
▸ OPRK1 P41145 1/20 0.54
▸ NMUR2 Q9GZQ4 2/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ MC4R P32245 1/20 0.53
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52
▸ F2 P00734 1/20 0.52
▸ BDKRB2 P30411 1/20 0.52

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
SCHEMBL8341612 1.00 OPRD1 (0.55) OPRD1KEAP1OPRK1NMUR2OPRM1
SCHEMBL31040682 0.89 OPRD1 (0.58) OPRD1OPRK1OPRM1
SCHEMBL30512651 0.88 NTSR1 (0.55) OPRD1KEAP1OPRK1OPRM1NTSR2
Thymoctonan SCHEMBL15532000 0.86 REN (0.52) OPRD1KEAP1OPRK1OPRM1NTSR2
Thymoctonan SCHEMBL1230532 0.86 REN (0.52) OPRD1KEAP1OPRK1OPRM1NTSR2
SCHEMBL30261995 0.86 OPRD1 (0.61) OPRD1OPRK1NMUR2OPRM1NMUR1
SCHEMBL30432935 0.85 NMUR2 (0.61) OPRK1NMUR2OPRM1MC4RNMUR1
SCHEMBL29440484 0.85 KEAP1 (0.60) OPRD1KEAP1NMUR2OPRM1NMUR1
SCHEMBL3221824 0.85 OPRK1 (0.56) OPRD1OPRK1NMUR2OPRM1NTSR1
SCHEMBL29679774 0.84 OPRD1 (0.57) OPRD1KEAP1OPRK1OPRM1

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
US-5874405-A PROVIDES FOR PEPTIDES AND METHODS OF USING PEPTIDES TO BLOCK OR INHIBIT A PATHOGENIC AUTOIMMUNE RESPONSE TO CENTRAL NERVOUS SYSTEM COMPONENTS; USEFUL DIAGNOSTICALLY TO SCREEN PEPTIDE OR PEPTIDE ANALOGS THAT CAN INHIBIT PATHOGENIC IMMUNE RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1999-02-23 — — US claimed
WO-1996018646-A2 HEAT SHOCK PROTEIN PEPTIDES AND METHODS FOR MODULATING AUTOIMMUNE CENTRAL NERVOUS SYSTEM DISEASE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-06-20 — — WO claimed
US-5958416-A Heat shock protein peptides and methods for modulating autoimmune central nervous system disease REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-09-28 — — US disclosed
WO-1996018646-A2 HEAT SHOCK PROTEIN PEPTIDES AND METHODS FOR MODULATING AUTOIMMUNE CENTRAL NERVOUS SYSTEM DISEASE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-06-20 — — WO disclosed
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