SCHEMBL8175013

SCHEMBL8175013

CCCC(O[C]=O)C1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4672145 0.84 SHBG (0.34)
SCHEMBL3031788 0.82 SHBG (0.38)
SCHEMBL4669966 0.81
SCHEMBL2961100 0.74 CPN1 (0.33) CPN1CPB2SLC6A2SLC6A4
SCHEMBL8175036 0.73 CPN1 (0.35) CPN1CPB2
SCHEMBL6813075 0.72 SHBG (0.35)
SCHEMBL8162906 0.72 GNAO1 (0.34)
SCHEMBL7012824 0.71
SCHEMBL8174926 0.70 TLR7 (0.36) SLC6A4
SCHEMBL27517189 0.70 CPN1 (0.37) CPN1CPB2SLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed