SCHEMBL11099432

SCHEMBL11099432

CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 7/20 0.63
ABCB11 O95342 1/20 0.62
GNRHR P30968 2/20 0.62
DRD1 P21728 1/20 0.62
OPRM1 P35372 1/20 0.62
MRGPRX2 Q96LB1 1/20 0.62
CXCL8 P10145 8/20 0.61
MC4R P32245 1/20 0.58
MC5R P33032 1/20 0.58
MC3R P41968 1/20 0.58
MC1R Q01726 1/20 0.58

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
SCHEMBL11093628 0.94 PTGS1 (0.63) KISS1RABCB11GNRHRCXCL8MC4R
SCHEMBL11199772 0.94 CXCL8 (0.61) KISS1RABCB11GNRHRDRD1OPRM1
SCHEMBL11125288 0.93 PTGS1 (0.64) KISS1RGNRHRDRD1OPRM1MRGPRX2
SCHEMBL11406923 0.93 KISS1R (0.59) KISS1RABCB11GNRHRDRD1OPRM1
SCHEMBL11199733 0.91 KISS1R (0.58) KISS1RABCB11GNRHRDRD1OPRM1
SCHEMBL11199735 0.91 CXCR4 (0.59) KISS1ROPRM1CXCL8MC4RMC5R
SCHEMBL11122441 0.91 KISS1R (0.64) KISS1RGNRHR
SCHEMBL11270601 0.91 KISS1R (0.64) KISS1RGNRHR
Acetic Acid SCHEMBL719624 0.90 GNRHR (0.64) KISS1RABCB11GNRHRDRD1OPRM1
SCHEMBL16636399 0.90 KISS1R (0.73) KISS1ROPRM1CXCL8MC4RMC5R

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
EP-0041286-B1 LH-RH ANTAGONISTS Schally, Andrew Victor (US) 1984-08-15 EP claimed
US-4317815-A PEPTIDE ANALOGS OF LUTENIZING HORMONE RELEASING HORMONE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND, THE, A CORPORATE ENTITY OF TULANE UNIVERSITY A CORP. OF LA. 1982-03-02 US claimed
EP-0041286-A1 LH-RH antagonists Schally, Andrew Victor (US) 1981-12-09 EP claimed
EP-0041286-B1 LH-RH ANTAGONISTS Schally, Andrew Victor (US) 1984-08-15 EP disclosed
US-4431635-A PEPTIDE ANALOGS OF LUTEINIZING HORMONE RELEASING HORMONE; GLANDULAR DISORDERS; ANTICARCINOGENIC AGENTS COY DAVID HOWARD 1984-02-14 US disclosed
US-4317815-A PEPTIDE ANALOGS OF LUTENIZING HORMONE RELEASING HORMONE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND, THE, A CORPORATE ENTITY OF TULANE UNIVERSITY A CORP. OF LA. 1982-03-02 US disclosed
EP-0041286-A1 LH-RH antagonists Schally, Andrew Victor (US) 1981-12-09 EP disclosed