SCHEMBL7352291

SCHEMBL7352291

CCCCCSCCCCNC(=O)CCCCC

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.63
FAAH O00519 4/20 0.61
NAAA Q02083 1/20 0.59
DNM1 Q05193 2/20 0.57
EPHX2 P34913 3/20 0.55
SLC6A5 Q9Y345 2/20 0.54
CNR1 P21554 2/20 0.50
LPAR1 Q92633 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5277980 0.88 CASP2 (0.79) CASP2FAAHNAAADNM1EPHX2
SCHEMBL11335765 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL12266775 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL6276593 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL1456491 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL23775006 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL21633848 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL21234011 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL20542645 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2
SCHEMBL22271678 0.86 CASP2 (0.83) CASP2FAAHNAAADNM1EPHX2

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 6 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