SCHEMBL19791177

SCHEMBL19791177

C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.55
▸ GHSR Q92847 1/20 0.51
▸ IL23R Q5VWK5 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ ACE P12821 1/20 0.49
▸ NPBWR1 P48145 1/20 0.48
▸ PTH1R Q03431 1/20 0.48
▸ MAGI3 Q5TCQ9 1/20 0.48
▸ GLP1R P43220 1/20 0.48
▸ GCGR P47871 1/20 0.48
▸ GIPR P48546 1/20 0.48

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
SCHEMBL19791186 1.00 KISS1R (0.55) KISS1RGHSRIL23RRXFP1PRMT1
SCHEMBL19791252 0.95 KISS1R (0.55) KISS1RIL23RRXFP1PRMT1NPBWR1
SCHEMBL19791161 0.94 IL23R (0.56) KISS1RIL23RRXFP1ACEMAGI3
SCHEMBL19791170 0.94 IL23R (0.56) KISS1RIL23RRXFP1PRMT1MAGI3
SCHEMBL29493330 0.89 GHSR (0.60) KISS1RGHSRIL23R
SCHEMBL31345040 0.89 KISS1R (0.56) KISS1RPRMT1ERAP2ACENPBWR1
SCHEMBL19791175 0.88 IL23R (0.51) KISS1RIL23RRXFP1NPBWR1MAGI3
SCHEMBL19791189 0.88 KISS1R (0.52) KISS1RIL23RPRMT1ERAP2ACE
SCHEMBL31232961 0.88 IL23R (0.51) KISS1RIL23RACENPBWR1
SCHEMBL29608623 0.87 KISS1R (0.53) KISS1RGHSRPRMT1ACENPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272765-A1 PEPTIDE DERIVATIVE FOR REGULATING THYMIC STROMAL LYMPHOID PROTEIN-MEDIATED SIGNALING AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ALLERGY AND ASTHMA DISEASES COMPRISING SAME Korea University Research and Business Foundation, Sejong Campus (KR) 2018-01-24 — — EP disclosed
Send feedback