SCHEMBL14486288

SCHEMBL14486288

Cc1c(Cl)cccc1Nc1ccc(C2CN(C=O)CCO2)c2c(C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 4/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TTR P02766 1/20 0.35
PLA2G1B P04054 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
HTR2A P28223 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL14486486 0.89 CYP1A2 (0.32) CYP1A2
SCHEMBL14485837 0.87 KDR (0.41) MAPTKDRP2RX7TP53RXFP1
SCHEMBL14486080 0.86 PTK6 (0.40) MEN1LMNAMAPTHPGDKMT2A
SCHEMBL14486536 0.80 SMN1; SMN2 (0.31)
SCHEMBL14486305 0.78 CNR2 (0.30) CNR2
SCHEMBL14486556 0.78 RAF1 (0.31)
SCHEMBL14485801 0.76 CFTR (0.32) CYP1A2HTR2AKDRTP53
SCHEMBL14485948 0.74 CNR2 (0.33) MAPTKDRP2RX7CNR2
SCHEMBL14485991 0.74 MAPT (0.41) LMNAMAPTKDRTP53CNR2
SCHEMBL14486308 0.73 EGFR (0.36) KDRP2RX7TP53

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
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US claimed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO claimed