SCHEMBL6997966

SCHEMBL6997966

O=C(NCC(C(=O)NC12CCCC1OCC2=O)c1ccc(O)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
DPP4 P27487 1/20 0.33
GCGR P47871 3/20 0.32
GLP1R P43220 1/20 0.32
GIPR P48546 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
DEGS1 O15121 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE2A O00408 1/20 0.31
GRIN2B Q13224 1/20 0.31
MDM2 Q00987 1/20 0.31
LDHA P00338 1/20 0.31

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
SCHEMBL6988551 0.94 TP53 (0.35) MEN1POLBKMT2AOPRM1OPRD1
SCHEMBL6990244 0.92 TP53 (0.38) MEN1POLBKMT2AGCGRGIPR
SCHEMBL6294364 0.92 TP53 (0.38) POLBGCGRALDH1A1
SCHEMBL6998484 0.90 TRPV1 (0.39) GCGR
SCHEMBL6994214 0.90 MEN1 (0.36) MEN1POLBKMT2AOPRM1OPRD1
SCHEMBL6988745 0.90 CTSK (0.35) MEN1POLBKMT2AOPRM1OPRD1
SCHEMBL6992598 0.89 AKT1 (0.38) MEN1POLBKMT2ADPP4GCGR
SCHEMBL6993342 0.88 KMT2A (0.40) MEN1POLBKMT2AALDH1A1TSHR
SCHEMBL6989694 0.87 KMT2A (0.40) MEN1POLBKMT2AALDH1A1
SCHEMBL6992582 0.84 TRPV1 (0.36) GCGRPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed