SCHEMBL7296281

SCHEMBL7296281

OCCCCC(O)CNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.50
BCHE P06276 3/20 0.48
ALDH1A1 P00352 2/20 0.44
ANPEP P15144 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7296276 0.85 BCHE (0.50) DNM1BCHEALDH1A1ANPEPCYP1A2
SCHEMBL28456149 0.84 S1PR2 (0.57) DNM1BCHEALDH1A1CYP1A2CYP2D6
SCHEMBL11120188 0.84 S1PR2 (0.57) DNM1BCHEALDH1A1CYP1A2CYP2D6
SCHEMBL9463779 0.84 S1PR2 (0.57) DNM1BCHEALDH1A1CYP1A2CYP2D6
SCHEMBL28508914 0.83 DNM1 (0.50) DNM1BCHEALDH1A1ANPEPCYP1A2
SCHEMBL28508915 0.83 DNM1 (0.50) DNM1BCHEALDH1A1ANPEPCYP1A2
SCHEMBL7358341 0.83 SIGMAR1 (0.49) ANPEP
SCHEMBL7286331 0.82 CYP1A2 (0.54) ALDH1A1CYP1A2CYP2D6KMT2AKDM4E
SCHEMBL893963 0.82 BCHE (0.63) DNM1BCHEALDH1A1ANPEPCYP1A2
SCHEMBL6694692 0.81 DNM1 (0.54) DNM1BCHEALDH1A1ANPEPCYP1A2

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