SCHEMBL6631372

SCHEMBL6631372

NC(=O)Oc1ccc(C(=O)NC2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 2/20 0.63
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 1/20 0.59
F2 P00734 1/20 0.59
PLG P00747 1/20 0.59
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
ST14 Q9Y5Y6 1/20 0.59
MAOB P27338 3/20 0.57
MAOA P21397 1/20 0.57
AOC3 Q16853 2/20 0.55
DAO P14920 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.52

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
SCHEMBL6629291 0.92 RAB9A (0.54) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL520877 0.83 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL126657 0.83 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28928584 0.83 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL2487814 0.82 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL123652 0.82 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL11240479 0.81 RAB9A (0.76) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL27496580 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL3546724 0.79 RAB9A (0.70) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL8738225 0.79 PKM (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN disclosed
CN-111423396-A sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2020-07-17 CN disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1451164-A2 AMIDE DERIVATIVES HAVING IMPROVED SOLUBILITY PHARMACIA & UPJOHN COMPANY (US) 2004-09-01 EP disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003006440-A2 AMIDE-CONTAINING COMPOUND HAVING IMPROVED SOLUBILITY AND METHOD OF IMPROVING THE SOLUBILITY OF AN AMIDE-CONTAINING COMPOUND PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 WO disclosed