SCHEMBL2843465

SCHEMBL2843465

O=C(O)NCCCc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HPGD P15428 1/20 0.50
CNR1 P21554 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HRH1 P35367 1/20 0.49
NAMPT P43490 1/20 0.48

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
SCHEMBL2840152 0.95 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C19RAB9ATDP1
SCHEMBL2846951 0.94 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19RAB9ATDP1
SCHEMBL1694984 0.90 RAB9A (0.62) SMN1; SMN2CYP1A2RAB9ATDP1LMNA
Hydrochloric Acid SCHEMBL7603529 0.88 RAB9A (0.61) SMN1; SMN2CYP1A2RAB9ATDP1LMNA
SCHEMBL3775207 0.86 RAB9A (0.63) SMN1; SMN2CYP1A2CYP2C19RAB9ALMNA
SCHEMBL14562256 0.85 MTNR1A (0.58) SMN1; SMN2CYP1A2CYP2C19RAB9ATDP1
Fumaric Acid SCHEMBL7602759 0.83 KMT2A (0.62) SMN1; SMN2RAB9ATDP1LMNAHRH3
SCHEMBL7601765 0.83 LMNA (0.70) SMN1; SMN2RAB9ATDP1LMNAALOX15
Maleic Acid SCHEMBL7602749 0.83 KMT2A (0.62) SMN1; SMN2RAB9ATDP1LMNAHRH3
SCHEMBL18381340 0.82 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2CYP2C19RAB9ATDP1

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