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SCHEMBL8894530

SCHEMBL8894530

COC(=O)C(C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(N)=O)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 1/20 0.53
▸ GHSR Q92847 2/20 0.52
▸ IL1RN P18510 1/20 0.52
▸ ERAP2 Q6P179 1/20 0.52
▸ ERAP1 Q9NZ08 1/20 0.52
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51

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
SCHEMBL8895429 0.98 IL1RN (0.54) ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8894510 0.98 IL1RN (0.54) ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8892706 0.95 ECE1 (0.57) ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8894507 0.94 ECE1 (0.59) ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8893523 0.94 ECE1 (0.59) ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8893522 0.94 ECE1 (0.59) ECE1GHSRIL1RNERAP2ERAP1
SCHEMBL8896669 0.93 GHSR (0.55) GHSR
SCHEMBL8892643 0.92 CCKBR (0.54) GHSRIL1RNERAP2ERAP1
SCHEMBL8896673 0.91 NPY1R (0.55) GHSR
SCHEMBL8895453 0.91 NPY1R (0.55) GHSR

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-5661128-A TREATING CANCER MERCK & CO. INC. (US) 1997-08-26 — — US claimed
US-5661128-A TREATING CANCER MERCK & CO. INC. (US) 1997-08-26 — — US disclosed
WO-1996010037-A1 PEPTIDE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO disclosed