SCHEMBL8894942

SCHEMBL8894942

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.53
▸ IL23R Q5VWK5 2/20 0.51
▸ KISS1R Q969F8 2/20 0.50
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ CALCR P30988 4/20 0.48
▸ TFPI P10646 1/20 0.48
▸ VIPR2 P41587 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47

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
SCHEMBL8893062 0.89 IL23R (0.57) GLP1RIL23RKISS1RTFPI
SCHEMBL29635074 0.89 F2 (0.59) GLP1RCRHR1CRHR2CALCRTFPI
SCHEMBL9437223 0.88 GLP1R (0.50) GLP1RKISS1RCRHR1CRHR2CALCR
SCHEMBL8894013 0.86 TFPI (0.58) GLP1RIL23RTFPINPY1RNPY2R
SCHEMBL8894949 0.85 BACE1 (0.61) IL23RKISS1RTFPI
SCHEMBL31462023 0.85 CALCR (0.54) GLP1RCRHR1CRHR2CALCRVIPR2
SCHEMBL8894994 0.85 KISS1R (0.59) IL23RKISS1RVIPR2
SCHEMBL29974829 0.84 F2 (0.52) IL23RKISS1RTFPI
SCHEMBL29973963 0.84 F2 (0.52) IL23RKISS1RTFPI
SCHEMBL30504388 0.84 VIPR1 (0.56) GLP1RKISS1RCRHR1CRHR2CALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618785-A ANTIISCHEMIC AGENTS, ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS CENTOCOR, INC. (US) 1997-04-08 — — US disclosed
WO-1995014787-A1 PEPTIDE INHIBITORS OF SELECTING BINDING CENTOCOR, INC. (US) 1995-06-01 — — WO disclosed
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