SCHEMBL18541554

SCHEMBL18541554

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ ITGB3 P05106 1/20 0.55
▸ ITGB1 P05556 1/20 0.55
▸ ITGAV P06756 1/20 0.55
▸ ITGA5 P08648 1/20 0.55
▸ MDM2 Q00987 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MPO P05164 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ CCKBR P32239 4/20 0.52
▸ CCKAR P32238 2/20 0.52
▸ HDAC8 Q9BY41 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
SCHEMBL12464196 0.92 OPRM1 (0.60) OPRD1OPRM1KDM4EMEN1LMNA
SCHEMBL30974288 0.87 CCKAR (0.57) OPRD1OPRM1ITGB3ITGB1ITGAV
SCHEMBL26605065 0.87 KDM4E (0.60) OPRD1OPRM1KDM4EMEN1LMNA
SCHEMBL26605070 0.87 KDM4E (0.60) OPRD1OPRM1KDM4EMEN1LMNA
SCHEMBL16317501 0.87 KDM4E (0.65) KDM4EMEN1LMNAMPOMAPT
SCHEMBL18541537 0.87 KDM4E (0.65) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29378473 0.87 KDM4E (0.65) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29828681 0.86 KDM4E (0.57) OPRD1OPRM1KDM4EMEN1LMNA
SCHEMBL30052764 0.86 KDM4E (0.62) OPRD1OPRM1KDM4EMEN1LMNA
SCHEMBL30974299 0.85 ACE (0.58) OPRD1OPRM1KDM4EMEN1LMNA

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
WO-2017030859-A1 CCK2R-DRUG CONJUGATES ENDOCYTE, INC. (US) 2017-02-23 — — WO disclosed
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