SCHEMBL4440310

SCHEMBL4440310

O=C(NC1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2ccc(Cl)cc2)C1)c1ncnc2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.80
TACR3 P29371 2/20 0.59

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
SCHEMBL4437054 1.00 TACR1 (0.80) TACR1TACR3
SCHEMBL3226015 0.94 TACR1 (0.71) TACR1TACR3
SCHEMBL3226018 0.94 TACR1 (0.71) TACR1TACR3
Spergualin SCHEMBL155207 0.89 TACR1 (1.00) TACR1TACR3
Spergualin SCHEMBL2141936 0.89 TACR1 (1.00) TACR1TACR3
Spergualin SCHEMBL155206 0.89 TACR1 (1.00) TACR1TACR3
SCHEMBL4564061 0.85 TACR1 (0.80) TACR1TACR3
SCHEMBL15680033 0.83 TACR1 (0.88) TACR1TACR3
SCHEMBL19442726 0.83 TACR1 (0.86) TACR1TACR3
SCHEMBL3213164 0.82 TACR1 (0.88) TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124949-A1 PHARMACEUTICAL FORMULATION Avera Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008103914-A1 PHARMACEUTICAL FORMULATION AVERA PHARMACEUTICALS, INC. (US) 2008-08-28 WO disclosed