Cyclohexane

Cyclohexane

SCHEMBL14348263

C1CCCCC1.CC(C)NCc1cccnc1NC(=O)Nc1cc2ccccc2s1

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
HCAR1 Q9BXC0 1/20 0.36
PPIA P62937 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
GFER P55789 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
ALOX5 P09917 3/20 0.34
CYP1A2 P05177 2/20 0.34
PTGES O14684 1/20 0.34
LMNA P02545 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL4190961 0.88 HTR1A (0.37) KDM4EHPGDFPR1FPR2HCAR1
Cyclohexane SCHEMBL14348248 0.85 NTRK1 (0.38) KDM4EALDH1A1HPGDFPR1FPR2
Cyclohexane SCHEMBL14348272 0.82 KDM4C (0.43) FPR1FPR2HCAR1HTR1ADRD2
Cyclopropane SCHEMBL4190988 0.77 EPHX1 (0.37) HCAR1ALOX5CYP1A2PTGESLMNA
Cyclohexane SCHEMBL4194020 0.75 KDM4C (0.38) FPR1FPR2HCAR1
SCHEMBL4194046 0.74 HTR1A (0.36) KDM4EHPGDFPR1FPR2NPC1
SCHEMBL4707716 0.74 GCK (0.35) KDM4EALDH1A1HPGDNPC1HTT
SCHEMBL4194935 0.73 REN (0.35) KDM4EHPGDFPR1FPR2NPC1
SCHEMBL4201892 0.72 REN (0.38) KDM4EFPR1FPR2NPC1RAB9A
SCHEMBL4195445 0.72 REN (0.38) KDM4EFPR1FPR2NPC1RAB9A

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
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed