SCHEMBL3420841

SCHEMBL3420841

CC(C)CC(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)[C@H](CCCCN)NC(=O)C1CCCN1C(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.66
▸ CXCR4 P61073 8/20 0.63
▸ KISS1R Q969F8 4/20 0.62
▸ IL23R Q5VWK5 1/20 0.60
▸ NTSR2 O95665 1/20 0.59
▸ NTSR1 P30989 1/20 0.59
▸ SORT1 Q99523 1/20 0.59
▸ OPRM1 P35372 4/20 0.58
▸ OPRK1 P41145 4/20 0.58
▸ KEAP1 Q14145 1/20 0.57

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
SCHEMBL29761931 1.00 TACR1 (0.66) TACR1CXCR4KISS1RIL23RNTSR2
SCHEMBL29973459 0.97 TACR1 (0.63) TACR1CXCR4KISS1RIL23RNTSR2
SCHEMBL30293938 0.92 TACR1 (0.65) TACR1CXCR4KISS1RIL23RKEAP1
SCHEMBL29543021 0.91 TACR1 (0.78) TACR1KISS1RNTSR2NTSR1SORT1
SCHEMBL29535981 0.91 TACR1 (0.78) TACR1KISS1RNTSR2NTSR1SORT1
SCHEMBL29350118 0.91 TACR1 (0.78) TACR1KISS1RNTSR2NTSR1SORT1
SCHEMBL34470399 0.91 NTSR2 (0.66) TACR1CXCR4KISS1RNTSR2NTSR1
SCHEMBL29973266 0.91 TACR1 (0.70) TACR1CXCR4KISS1RIL23RNTSR2
SCHEMBL29973465 0.90 TACR1 (0.59) TACR1CXCR4KISS1RIL23RNTSR2
SCHEMBL29697181 0.90 CXCR4 (0.66) CXCR4KISS1RNTSR2NTSR1SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143477-A1 Methods and Compositions for Stimulating the Proliferation or Differentiation of Stem Cells with Substance Por an Analog Thereof IMMUNEREGEN BIOSCIENCES, INC. (US) 2010-06-10 — — US disclosed
EP-2178550-A2 METHODS AND COMPOSITIONS FOR STIMULATING THE PROLIFERATION OR DIFFERENTIATION OF STEM CELLS WITH SUBSTANCE P OR AN ANALOG THEREOF Immuneregen Biosciences, Inc. (US) 2010-04-28 — — EP disclosed
WO-2009085236-A2 COMPOSITIONS AND METHODS OF USING SUBSTANCE P. ANALOGS IMMUNEREGEN BIOSCIENCES, INC. (US) 2009-07-09 — — WO disclosed
WO-2009051622-A2 METHODS FOR STIMULATING FIBROBLAST PROLIFERATION USING SUBSTANCE P ANALOGS IMMUNEREGEN BIOSCIENCES, INC. (US) 2009-04-23 — — WO disclosed
US-20090099092-A1 METHODS FOR STIMULATING FIBROBLAST PROLIFERATION USING SUBSTANCE P ANALOGS IMMUNEREGEN BIOSCIENCES, INC. (US) 2009-04-16 — — US disclosed
WO-2009017655-A2 METHODS AND COMPOSITIONS FOR STIMULATING THE PROLIFERATION OR DIFFERENTIATION OF STEM CELLS WITH SUBSTANCE P OR AN ANALOG THEREOF IMMUNEREGEN BIOSCIENCES, INC. (US) 2009-02-05 — — WO disclosed
US-20090028834-A1 Methods and compositions for stimulating the proliferation or differentiation of stem cells with substance P or an analog thereof WILHELM, MICHAEL 2009-01-29 — — US disclosed
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