SCHEMBL8539752

SCHEMBL8539752

NCCCC(N)C(O)C(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.30

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
SCHEMBL8975436 0.83 CETP (0.37) CETP
SCHEMBL20099457 0.74 TRPV1 (0.34)
SCHEMBL8059001 0.73 SPHK1 (0.32) CETP
SCHEMBL10163389 0.71 TSHR (0.31)
SCHEMBL9216238 0.70 GSR (0.40)
SCHEMBL12321638 0.69
SCHEMBL771021 0.68 NFKB1 (0.43)
SCHEMBL16297104 0.66
SCHEMBL27470695 0.66
SCHEMBL7199328 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504064-B1 Novel thrombin inhibitors MERRELL PHARMA INC (US) 1998-05-13 EP disclosed
US-5563156-A ANTICOAGULANTS, ANTIASTHMA AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-10-08 US disclosed
US-5498779-A ANTICOAGULANTS AND TREATMENT OF ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1996-03-12 US disclosed
US-5391705-A Anticoagulants, treats thrombophlebitis, coronary thrombosis and asthma MERRELL DOW PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed
EP-0504064-A1 Novel thrombin inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-09-16 EP disclosed