SCHEMBL31279656

SCHEMBL31279656

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.52
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
NPBWR1 P48145 2/20 0.51
KISS1R Q969F8 4/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
ECE1 P42892 3/20 0.49
ERAP2 Q6P179 1/20 0.48

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
SCHEMBL4947728 0.95 KDM4E (0.56) ACEKDM4EMEN1LMNAMPO
SCHEMBL13605071 0.95 KDM4E (0.56) ACEKDM4EMEN1LMNAMPO
SCHEMBL4947716 0.95 KDM4E (0.56) ACEKDM4EMEN1LMNAMPO
SCHEMBL30697763 0.93 CTSC (0.51) OPRM1OPRD1NPBWR1KISS1RMEN1
SCHEMBL29799941 0.93 KDM4E (0.54) ACEKISS1RKDM4EMEN1LMNA
SCHEMBL30130569 0.92 KISS1R (0.55) OPRM1OPRD1NPBWR1KISS1R
SCHEMBL30839329 0.92 KDM4E (0.53) ACEKISS1RKDM4EMEN1LMNA
SCHEMBL29732484 0.91 KDM4E (0.52) ACEKISS1RKDM4EMEN1LMNA
SCHEMBL29732417 0.91 KDM4E (0.52) ACEKISS1RKDM4EMEN1LMNA
SCHEMBL30148431 0.91 KDM4E (0.52) ACEKISS1RKDM4EMEN1LMNA

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
CN-112218875-B Method for synthesizing arginine-containing peptides 帝斯曼知识产权资产管理有限公司 2024-10-11 CN disclosed