SCHEMBL12464196

SCHEMBL12464196

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.60
▸ OPRD1 P41143 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MPO P05164 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ CTSL P07711 1/20 0.52
▸ NMBR P28336 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ TACR1 P25103 1/20 0.51
▸ TACR3 P29371 1/20 0.50
▸ BRS3 P32247 1/20 0.50
▸ ECE1 P42892 1/20 0.49
▸ ALOX15 P16050 1/20 0.49

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
SCHEMBL18541554 0.92 OPRD1 (0.56) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL26605065 0.90 KDM4E (0.60) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL26605070 0.90 KDM4E (0.60) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL18541537 0.90 KDM4E (0.65) KDM4EMEN1LMNAMPOMAPT
SCHEMBL16317501 0.90 KDM4E (0.65) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29378473 0.90 KDM4E (0.65) KDM4EMEN1LMNAMPOMAPT
SCHEMBL30052764 0.89 KDM4E (0.62) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL5178667 0.88 CTSL (0.54) OPRM1OPRD1CTSLNMBRTACR1
SCHEMBL26605057 0.88 CTSL (0.54) OPRM1OPRD1CTSLNMBRTACR1
SCHEMBL30464831 0.87 OPRM1 (0.64) OPRM1OPRD1BRS3

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-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 — — US disclosed
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