SCHEMBL13484333

SCHEMBL13484333

CCCC(C)c1nc(-c2ccccn2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
HTT P42858 3/20 0.43
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
TSHR P16473 1/20 0.41
CES1 P23141 1/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL13744436 0.86 TSHR (0.42) FAAHHTTKDM4ELMNACCR1
SCHEMBL13484328 0.82 TSHR (0.46) FAAHHTTKDM4ELMNACCR1
SCHEMBL9525347 0.76 KDM4E (0.52) HTTKDM4ELMNACCR1CCR5
SCHEMBL13848520 0.74 FAAH (0.45) FAAHHTTKDM4ELMNACCR1
SCHEMBL13484330 0.73 FAAH (0.46) FAAHCES1
SCHEMBL13484335 0.73 SLC6A3 (0.34) KDM4ELMNATSHRALOX15SMN1; SMN2
SCHEMBL13484313 0.73 KDM4E (0.48) FAAHHTTKDM4ELMNACCR1
SCHEMBL23791344 0.71 CA12 (0.31)
SCHEMBL13484018 0.71 KDM4E (0.54) HTTKDM4ELMNACCR1CCR5
SCHEMBL13484363 0.71 CYP2D6 (0.36) CYP2D6

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
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed