SCHEMBL4707356

SCHEMBL4707356

CC(CNCc1ncccc1NC(=O)Oc1cc2ccccc2s1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
NTRK1 P04629 1/20 0.33
GRM5 P41594 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4707718 0.87 OPRM1 (0.40) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4708771 0.85 KDM4C (0.40) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4708835 0.85 OPRM1 (0.40) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4706830 0.85 OPRM1 (0.40) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4707353 0.83 CNR1 (0.36) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4706438 0.83 F10 (0.40) OPRM1TAS1R3TAS1R1S1PR4S1PR5
SCHEMBL4707023 0.81 OPRM1 (0.39) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL4707118 0.80 KDM4E (0.40) MEN1KMT2AGAAKDM4EHPGD
SCHEMBL4710096 0.79 OPRM1 (0.41) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL14343589 0.76 CNR1 (0.38) CNR1CNR2GRM5

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-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed