SCHEMBL13484387

SCHEMBL13484387

CCC(CC)c1ncc(-c2cccs2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 12/20 0.40
ALDH1A1 P00352 10/20 0.40
HPGD P15428 9/20 0.40
RAB9A P51151 9/20 0.40
NPC1 O15118 8/20 0.40
HSD17B10 Q99714 6/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL8291559 0.81 FAAH (0.38) FAAHCES1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3869263 0.80 FAAH (0.38) FAAHCES1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3869265 0.80 FAAH (0.38) FAAHCES1KDM4EALDH1A1HPGD
SCHEMBL5775962 0.74 KDM4E (0.37) FAAHCES1KDM4EALDH1A1HPGD
SCHEMBL13484389 0.74 NOTUM (0.49) FAAHCES1KDM4EALDH1A1HPGD
SCHEMBL13484392 0.74 ADRB2 (0.33) ALDH1A1
SCHEMBL13484009 0.74 ALDH1A1 (0.46) FAAHCES1KDM4EALDH1A1HPGD
SCHEMBL3874168 0.73 CTSK (0.48) FAAHCES1ALDH1A1HPGDRAB9A
SCHEMBL13744866 0.73 FAAH (0.46) FAAHTDP1CYP2C9CYP2C19
SCHEMBL13484388 0.72 FAAH (0.36) FAAHTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed
EP-2093220-A2 Inhibitors of fatty acid amide hydrolase The Scripps Research Institute (US) 2009-08-26 EP disclosed
EP-1549624-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2009-05-13 EP disclosed