SCHEMBL7288452

SCHEMBL7288452

O=[C]c1ccc(NC(=O)OCCCCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
RECQL P46063 1/20 0.68
CHRNA7 P36544 2/20 0.54
TSHR P16473 1/20 0.51
NAAA Q02083 3/20 0.48
ROCK2 O75116 1/20 0.48
MGLL Q99685 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 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
SCHEMBL7286894 0.86 RAB9A (0.67) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
SCHEMBL7295364 0.82 RAB9A (0.72) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
SCHEMBL7288459 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
3-Phenylpropyl Phenylcarbamate SCHEMBL13625195 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
SCHEMBL9005244 0.81 POLB (0.64) NPC1RAB9ASMN1; SMN2RECQLTSHR
SCHEMBL9100477 0.80 TDP1 (0.57) NPC1RAB9ALMNA
SCHEMBL7287219 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
SCHEMBL17263428 0.79 RAB9A (0.75) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
SCHEMBL10817231 0.79 RAB9A (0.75) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
SCHEMBL6347339 0.78 RAB9A (0.65) NPC1RAB9ASMN1; SMN2RECQLTSHR

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
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
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO 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