SCHEMBL31280438

SCHEMBL31280438

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2cc(F)ccc12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.45
▸ OPRM1 P35372 4/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ ITGB2 P05107 2/20 0.41
▸ ICAM1 P05362 2/20 0.41
▸ ITGAL P20701 2/20 0.41
▸ OPRK1 P41145 2/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ NPBWR1 P48145 3/20 0.40
▸ PTPRA P18433 1/20 0.39
▸ ADAM17 P78536 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SOS1 Q07889 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MPO P05164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ BLM P54132 1/20 0.37

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
SCHEMBL31280518 0.94 PRMT1 (0.45) PRMT1OPRM1OPRD1OPRK1OPRL1
SCHEMBL29772708 0.89 PRMT1 (0.54) PRMT1OPRM1OPRD1NPBWR1KDM4E
SCHEMBL29480592 0.82 OPRD1 (0.57) PRMT1OPRM1OPRD1NPBWR1MC4R
SCHEMBL31190178 0.82 PRMT1 (0.54) PRMT1OPRM1OPRD1NPBWR1CXCR4
SCHEMBL4947728 0.81 KDM4E (0.56) KDM4EMEN1LMNAMPOMAPT
SCHEMBL13605071 0.81 KDM4E (0.56) KDM4EMEN1LMNAMPOMAPT
SCHEMBL4947716 0.81 KDM4E (0.56) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29791696 0.80 CCKBR (0.53) PRMT1OPRM1OPRD1NPBWR1CXCR4
SCHEMBL31659444 0.79 CCKAR (0.54) PRMT1OPRM1OPRD1NPBWR1CXCR4
SCHEMBL29799941 0.79 KDM4E (0.54) PRMT1KDM4EMEN1LMNAMPO

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
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