SCHEMBL2846899

SCHEMBL2846899

O=C(O)NCCCCc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
NAMPT P43490 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
ASAH1 Q13510 1/20 0.48
KDM6B O15054 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 2/20 0.47

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
SCHEMBL334624 0.98 TRPV1 (0.53) SMN1; SMN2RAB9ANPC1TRPV1NAMPT
SCHEMBL2840635 0.98 TRPV1 (0.53) SMN1; SMN2RAB9ANPC1TRPV1NAMPT
SCHEMBL2844665 0.95 KDM4E (0.54) SMN1; SMN2RAB9ANPC1KDM4EHPGD
SCHEMBL334426 0.87 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1NAMPTKDM4E
SCHEMBL2019835 0.83 TRPV1 (0.69) SMN1; SMN2RAB9ANPC1TRPV1NAMPT
SCHEMBL8671157 0.83 KDM4E (0.53) SMN1; SMN2RAB9ANPC1TRPV1KDM4E
SCHEMBL15861957 0.81 TRPV1 (0.72) SMN1; SMN2RAB9ANPC1TRPV1HPGD
SCHEMBL2021336 0.81 TRPV1 (0.72) SMN1; SMN2RAB9ANPC1TRPV1HPGD
SCHEMBL893485 0.81 TRPV1 (0.72) SMN1; SMN2RAB9ANPC1TRPV1HPGD
SCHEMBL2021996 0.81 TRPV1 (0.72) SMN1; SMN2RAB9ANPC1TRPV1HPGD

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
EP-2251324-A1 HETEROARYL-ALKYLCARBAMATE COMPOUNDS AND THEIR USE AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2010-11-17 EP disclosed
EP-1720829-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 EP disclosed