SCHEMBL13848655

SCHEMBL13848655

CCC(CC)c1nc(-c2cccn2C)co1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2A6 P11509 1/20 0.33
CYP2A13 Q16696 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PCSK9 Q8NBP7 1/20 0.31

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
SCHEMBL13484335 0.82 SLC6A3 (0.34) KDM4EALDH1A1GAAALOX15CYP2A6
SCHEMBL13484020 0.74 ENPP3 (0.44) KDM4EALDH1A1GAAALOX15CYP2A6
SCHEMBL13744630 0.73 ENPP3 (0.42) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13484326 0.71 KDM4E (0.41) KDM4EALDH1A1GAAALOX15NPC1
SCHEMBL13484328 0.70 TSHR (0.46) KDM4EALDH1A1ALOX15NPC1HSD17B10
SCHEMBL13848516 0.69 S1PR1 (0.39) KDM4EALDH1A1NPC1HSD17B10LMNA
SCHEMBL13744533 0.69 HTR2C (0.33) TSHR
SCHEMBL13484397 0.68 ADORA2A (0.38) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL13848635 0.68 CYP2A6 (0.43) KDM4EALDH1A1ALOX15CYP2A6NPC1
SCHEMBL13848589 0.67

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-1549624-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2009-05-13 EP disclosed