SCHEMBL4708769

SCHEMBL4708769

CC(CC1CCCCC1)NCc1ccncc1NC(=O)Oc1cc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.40
CNR1 P21554 3/20 0.38
REN P00797 1/20 0.37
F12 P00748 1/20 0.35
CNR2 P34972 1/20 0.35
OPRM1 P35372 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC2 Q92769 1/20 0.33
GAA P10253 1/20 0.33
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
NPY5R Q15761 1/20 0.32
GCK P35557 1/20 0.32
PRMT3 O60678 1/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL4708832 0.93 KDM4C (0.38) KDM4CCNR1RENF12CNR2
SCHEMBL4195445 0.87 REN (0.38) KDM4CCNR1RENCNR2OPRM1
SCHEMBL4197246 0.86 REN (0.36) KDM4CCNR1RENF12CNR2
SCHEMBL4706437 0.85 KDM4E (0.35) OPRM1KMT2AKDM4ENPY5R
SCHEMBL4707353 0.85 CNR1 (0.36) CNR1RENCNR2OPRM1MEN1
SCHEMBL4707716 0.84 GCK (0.35) CNR1RENCNR2OPRM1MEN1
SCHEMBL4186546 0.84 REN (0.36) KDM4CCNR1RENF12CNR2
SCHEMBL4708771 0.83 KDM4C (0.40) KDM4CCNR1F12OPRM1MEN1
SCHEMBL14343632 0.81 CTSK (0.35) KDM4EHDAC2GCK
SCHEMBL14343860 0.80 KDM4C (0.38) KDM4CCNR1RENF12CNR2

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