SCHEMBL6556294

SCHEMBL6556294

O=CCn1cncc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.43
CASP3 P42574 1/20 0.42
ELANE P08246 3/20 0.41
SENP1 Q9P0U3 1/20 0.41
SCD O00767 1/20 0.41
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ROCK2 O75116 1/20 0.41
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL6557730 0.86 NPC1 (0.49) NPC1RAB9APOLBMAOBCASP3
SCHEMBL6556281 0.80 NPC1 (0.46) NPC1RAB9APOLBMAOBCASP3
SCHEMBL7297125 0.78 NPC1 (0.44) NPC1RAB9APOLBMAOBCASP3
SCHEMBL7297137 0.78 NPC1 (0.48) NPC1RAB9APOLBMAOBCASP3
SCHEMBL6556109 0.78 ELANE (0.51) NPC1RAB9AELANESMN1; SMN2
SCHEMBL27467966 0.77 NPC1 (0.50) NPC1RAB9APOLBMAOBCASP3
SCHEMBL6085892 0.77 ELANE (0.60) NPC1RAB9AELANE
SCHEMBL6557626 0.76 ELANE (0.54) NPC1RAB9APOLBELANE
SCHEMBL6805631 0.76 POLB (0.48) NPC1RAB9APOLBMAOBCASP3
SCHEMBL8401233 0.75 POLB (0.53) NPC1RAB9APOLBMAOBCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1188401-C Heterocyclic amide compound and its pharmaceutical use MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-02-09 CN disclosed
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
CN-1131210-C Heterocyclic amide compound and medical use thereof MITSUBISHI SEIYAKU CO LTD (JP) 2003-12-17 CN disclosed
CN-1304931-A Heterocyclic amide compound and medical use thereof EFUKU CO LTD (JP) 2001-07-25 CN disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
CN-1188472-A Heterocyclic amide compound and medical use thereof GREEN CROSS CORP (JP) 1998-07-22 CN disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed