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SCHEMBL8894510

SCHEMBL8894510

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 2/20 0.54
▸ ERAP2 Q6P179 2/20 0.54
▸ ERAP1 Q9NZ08 1/20 0.54
▸ NPY1R P25929 3/20 0.52
▸ NPY2R P49146 3/20 0.52
▸ NPY4R P50391 3/20 0.52
▸ ECE1 P42892 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GHSR Q92847 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 1.00 IL1RN (0.54) IL1RNERAP2ERAP1NPY1RNPY2R
SCHEMBL8894530 0.98 ECE1 (0.53) IL1RNERAP2ERAP1ECE1GHSR
SCHEMBL8893522 0.93 ECE1 (0.59) IL1RNERAP2ERAP1ECE1GHSR
SCHEMBL8893523 0.93 ECE1 (0.59) IL1RNERAP2ERAP1ECE1GHSR
SCHEMBL8894507 0.93 ECE1 (0.59) IL1RNERAP2ERAP1ECE1GHSR
SCHEMBL8892643 0.93 CCKBR (0.54) IL1RNERAP2ERAP1NPY1RNPY2R
SCHEMBL8892706 0.92 ECE1 (0.57) IL1RNERAP2ERAP1ECE1GHSR
SCHEMBL8895938 0.92 ECE1 (0.59) IL1RNERAP2ERAP1ECE1GHSR
SCHEMBL8896690 0.92 ECE1 (0.59) IL1RNERAP2ERAP1ECE1GHSR
SCHEMBL8895453 0.92 NPY1R (0.55) NPY1RNPY2RNPY4RGHSR

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 4 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
WO-1996010037-A1 PEPTIDE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO 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