SCHEMBL7286901

SCHEMBL7286901

O=Cc1cccc(NC(=O)OCCCCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
RECQL P46063 1/20 0.65
MGLL Q99685 2/20 0.58
CHRNA7 P36544 1/20 0.52
NR1H4 Q96RI1 1/20 0.48
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
NAAA Q02083 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 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
SCHEMBL7353406 0.96 RAB9A (0.71) RAB9ANPC1SMN1; SMN2RECQLMGLL
SCHEMBL7288459 0.85 NPC1 (0.68) RAB9ANPC1SMN1; SMN2RECQLMGLL
SCHEMBL6209756 0.83 MGLL (0.68) RAB9ANPC1SMN1; SMN2MGLLTSHR
SCHEMBL29951102 0.83 MGLL (0.68) RAB9ANPC1SMN1; SMN2MGLLTSHR
SCHEMBL2321762 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL7286894 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2RECQLMGLL
SCHEMBL2281889 0.81 HPGD (0.50) RAB9ANPC1SMN1; SMN2RECQLMGLL
3-Phenylpropyl Phenylcarbamate SCHEMBL13625195 0.80 NPC1 (1.00) RAB9ANPC1SMN1; SMN2RECQLMGLL
SCHEMBL7295364 0.78 RAB9A (0.72) RAB9ANPC1SMN1; SMN2RECQLMGLL
SCHEMBL1952517 0.76 NPC1 (0.61) RAB9ANPC1SMN1; SMN2RECQLMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed