SCHEMBL9551338

SCHEMBL9551338

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 14/20 0.57
▸ KISS1R Q969F8 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ GHSR Q92847 3/20 0.53
▸ PTH1R Q03431 1/20 0.53
▸ NPY2R P49146 1/20 0.53

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
SCHEMBL9551340 0.96 IL23R (0.55) IL23RRXFP1GHSRNPY2R
SCHEMBL9551262 0.96 IL23R (0.61) IL23RKISS1RGHSRPTH1RNPY2R
SCHEMBL31252916 0.93 IL23R (0.56) IL23RKISS1RGHSR
SCHEMBL9551263 0.92 IL23R (0.58) IL23RKISS1RGHSRPTH1RNPY2R
SCHEMBL30130526 0.92 IL23R (0.55) IL23RKISS1RGHSR
SCHEMBL30130542 0.92 IL23R (0.55) IL23RKISS1RGHSR
SCHEMBL30092977 0.91 GHSR (0.55) IL23RKISS1RGHSR
SCHEMBL30093017 0.91 GHSR (0.55) IL23RKISS1RGHSR
SCHEMBL7153463 0.90 KISS1R (0.57) IL23RKISS1RGHSRNPY2R
SCHEMBL29379367 0.90 GHSR (0.55) IL23RGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34165-E Pentapeptide immunoregulators ORTHO PHARMACEUTICAL CORPORATION (US) 1993-01-19 — — US disclosed
US-4629723-A IMMUNOREGULATING PEPTIDES ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-16 — — US disclosed
EP-0166612-A2 Potent thymopentin analogs ORTHO PHARMACEUTICAL CORPORATION (US) 1986-01-02 — — EP disclosed
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