SCHEMBL2840635

SCHEMBL2840635

O=C(O)NCCCCCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
HRH1 P35367 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
NAAA Q02083 1/20 0.47
ASAH1 Q13510 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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 1.00 TRPV1 (0.53) TRPV1HRH1ALDH1A1CYP1A2CYP2C9
SCHEMBL2846899 0.98 SMN1; SMN2 (0.50) TRPV1HRH1ALDH1A1CYP1A2CYP2C9
SCHEMBL2844665 0.93 KDM4E (0.54) CYP2C9CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL334426 0.85 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2RAB9ANPC1NAMPT
SCHEMBL8671157 0.85 KDM4E (0.53) TRPV1HRH1ALDH1A1CYP1A2CYP2C9
SCHEMBL893485 0.84 TRPV1 (0.72) TRPV1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2021336 0.84 TRPV1 (0.72) TRPV1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL15861957 0.84 TRPV1 (0.72) TRPV1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2021996 0.84 TRPV1 (0.72) TRPV1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2024980 0.84 TRPV1 (0.72) TRPV1ALDH1A1SMN1; SMN2RAB9ANPC1

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