SCHEMBL9440643

SCHEMBL9440643

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 8/20 0.59
▸ IL1RN P18510 8/20 0.59
▸ ERAP1 Q9NZ08 3/20 0.59
▸ ANPEP P15144 1/20 0.57
▸ ACE P12821 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ HCRTR1 O43613 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ GHSR Q92847 1/20 0.55

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
SCHEMBL9440772 0.92 ACE (0.66) ERAP2ACE
SCHEMBL6362124 0.86 TACR1 (0.63) ERAP2IL1RNERAP1MEN1HCRTR1
SCHEMBL16626132 0.86 TACR1 (0.63) ERAP2IL1RNERAP1MEN1HCRTR1
SCHEMBL29138492 0.86 TACR1 (0.63) ERAP2IL1RNERAP1MEN1HCRTR1
SCHEMBL6355051 0.86 TACR1 (0.63) ERAP2IL1RNERAP1MEN1HCRTR1
SCHEMBL9439966 0.86 IL1RN (0.53) ERAP2IL1RNERAP1ACEMEN1
SCHEMBL30051739 0.85 ACE (0.67) ERAP2ACE
SCHEMBL30052892 0.85 ACE (0.67) ERAP2ACE
SCHEMBL24239839 0.85 KMT2A (0.61) ERAP2IL1RNERAP1ANPEPACE
SCHEMBL20829978 0.85 OPRK1 (0.62) ERAP2IL1RNERAP1ANPEPACE

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
WO-1990012883-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1990-11-01 — — WO claimed
US-5336601-A Enzymatic membrane method for the snythesis and separation of peptides THE COCA-COLA COMPANY (US) 1994-08-09 — — US disclosed
EP-0470175-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1992-02-12 — — EP disclosed
WO-1990012883-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1990-11-01 — — WO disclosed
Send feedback