SCHEMBL13848520

SCHEMBL13848520

CCCc1nc(-c2ccccn2)co1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
HTT P42858 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL5315043 0.89 FAAH (0.51) FAAHKDM4ELMNACCR1CCR5
SCHEMBL13484313 0.87 KDM4E (0.48) FAAHKDM4ELMNACCR1CCR5
SCHEMBL13848661 0.79 CYP2D6 (0.41) FAAHS1PR1CYP2D6
SCHEMBL4279402 0.79 CES1 (0.64) FAAHSMN1; SMN2CES1NPC1RAB9A
SCHEMBL8334940 0.78 S1PR1 (0.53) KDM4ESMN1; SMN2S1PR1NPC1RAB9A
SCHEMBL13744681 0.77 CYP2D6 (0.39) KDM4ECYP1A2POLBTDP1HTT
SCHEMBL12655138 0.77 CES1 (0.46) FAAHKDM4ELMNACCR1CCR5
SCHEMBL12622461 0.76 CES1 (0.60) FAAHCES1
SCHEMBL13484018 0.74 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL13484333 0.74 FAAH (0.46) FAAHKDM4ELMNACCR1CCR5

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