SCHEMBL1650372

SCHEMBL1650372

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.51
CTSC P53634 5/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MPO P05164 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
IL1RN P18510 3/20 0.47
ERAP1 Q9NZ08 2/20 0.47
GHSR Q92847 3/20 0.46
KISS1R Q969F8 2/20 0.46
ERBB2 P04626 1/20 0.46
MAGI3 Q5TCQ9 1/20 0.46
ACE P12821 1/20 0.45
OPRM1 P35372 1/20 0.44

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
SCHEMBL3187737 0.94 ERAP2 (0.55) ERAP2CTSCKDM4EMEN1LMNA
SCHEMBL3187724 0.94 ERAP2 (0.55) ERAP2CTSCKDM4EMEN1LMNA
SCHEMBL2191649 0.93 ERAP2 (0.53) ERAP2CTSCKDM4EMEN1LMNA
SCHEMBL1652403 0.92 KDM4E (0.58) ERAP2CTSCKDM4EMEN1LMNA
SCHEMBL3077916 0.89 ERAP2 (0.56) ERAP2CTSCKDM4EMEN1LMNA
SCHEMBL2160273 0.86 ERAP2 (0.52) ERAP2CTSCIL1RNERAP1GHSR
SCHEMBL2183848 0.86 CTSC (0.56) CTSCKDM4EMEN1LMNAMPO
SCHEMBL30729669 0.85 ERAP2 (0.59) ERAP2KDM4EMEN1LMNAMPO
SCHEMBL30284429 0.85 ERAP2 (0.64) ERAP2KDM4EMEN1LMNAMPO
SCHEMBL31611296 0.85 ERAP2 (0.59) ERAP2KDM4EMEN1LMNAMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed