SCHEMBL7296276

SCHEMBL7296276

[O]CCCCC(O)CNCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.50
DNM1 Q05193 2/20 0.49
ANPEP P15144 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAOA P21397 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
SCHEMBL7296281 0.85 DNM1 (0.50) BCHEDNM1ANPEPALDH1A1KDM4E
SCHEMBL7358334 0.83 ANPEP (0.48) ANPEP
SCHEMBL7286324 0.83 CYP1A2 (0.53) ALDH1A1KDM4ECYP1A2CYP2D6LMNA
SCHEMBL9463779 0.83 S1PR2 (0.57) BCHEDNM1ALDH1A1CYP1A2CYP2D6
SCHEMBL11120188 0.83 S1PR2 (0.57) BCHEDNM1ALDH1A1CYP1A2CYP2D6
SCHEMBL28456149 0.83 S1PR2 (0.57) BCHEDNM1ALDH1A1CYP1A2CYP2D6
SCHEMBL28508915 0.82 DNM1 (0.50) BCHEDNM1ANPEPALDH1A1KDM4E
SCHEMBL28508914 0.82 DNM1 (0.50) BCHEDNM1ANPEPALDH1A1KDM4E
SCHEMBL3079280 0.81 BCHE (0.56) BCHEDNM1ANPEPALDH1A1KDM4E
SCHEMBL893963 0.80 BCHE (0.63) BCHEDNM1ANPEPALDH1A1KDM4E

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