SCHEMBL6992598

SCHEMBL6992598

O=C(NCC(C(=O)NC12CCCC1OCC2=O)c1ccc(Cl)c(Cl)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
MCHR1 Q99705 3/20 0.36
TACR1 P25103 5/20 0.34
TACR2 P21452 3/20 0.34
MDM2 Q00987 2/20 0.34
HPGD P15428 1/20 0.33
CCR5 P51681 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GLP1R P43220 1/20 0.32
GCGR P47871 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.32
DPP4 P27487 1/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL6996937 0.92 TP53 (0.40) HPGDGLP1RGCGRSLC6A3
SCHEMBL6990244 0.91 TP53 (0.38) MEN1POLBKMT2AGCGRELOVL6
SCHEMBL6992764 0.91 HPGD (0.39) AKT1HPGDMEN1KMT2AGLP1R
SCHEMBL7144829 0.91 TRPV1 (0.42) CCR5GCGR
SCHEMBL6988551 0.89 TP53 (0.35) TACR1CCR5MEN1POLBKMT2A
SCHEMBL6997966 0.89 MEN1 (0.34) MDM2MEN1POLBKMT2AGLP1R
SCHEMBL6986470 0.88 HPGD (0.38) HPGDMEN1POLBKMT2AGLP1R
SCHEMBL6994214 0.87 MEN1 (0.36) TACR1MEN1POLBKMT2ADPP4
SCHEMBL6989614 0.83 TP53 (0.47) MEN1POLBKMT2AGCGR
SCHEMBL6991739 0.82 TRPV1 (0.38) GCGR

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