SCHEMBL7294615

SCHEMBL7294615

CCCCCOC(=O)NC([C]=O)CCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.60
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
GAA P10253 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
NAAA Q02083 4/20 0.43

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
SCHEMBL7295279 0.95 CTSK (0.57) CTSKNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7288036 0.85 CTSK (0.53) CTSKNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL27407256 0.83 CTSK (0.52) CTSKNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7164779 0.83 CTSL (0.62) CTSKCTSLCTSS
SCHEMBL3151111 0.83 CTSL (0.62) CTSKCTSLCTSS
SCHEMBL7356148 0.81 CTSK (0.89) CTSKNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7286880 0.80 CTSK (0.50) CTSKNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3719520 0.79 CTSK (0.63) CTSKNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL6249902 0.78 CTSK (0.62) CTSKNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL7785794 0.77 CTSS (0.55) CTSKCTSLCTSS

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
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-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