SCHEMBL4556039

SCHEMBL4556039

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

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.81
RHOC P08134 6/20 0.56
RHOA P61586 6/20 0.56
TACR3 P29371 1/20 0.48

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
SCHEMBL8300981 1.00 TACR1 (0.81) TACR1RHOCRHOATACR3
SCHEMBL3203637 1.00 TACR1 (0.81) TACR1RHOCRHOATACR3
SCHEMBL8291732 1.00 TACR1 (0.81) TACR1RHOCRHOATACR3
SCHEMBL8297226 0.89 TACR1 (1.00) TACR1RHOCRHOATACR3
SCHEMBL7459083 0.89 TACR1 (1.00) TACR1RHOCRHOATACR3
SCHEMBL8499946 0.88 TACR1 (0.62) TACR1RHOCRHOATACR3
SCHEMBL8296860 0.86 TACR1 (0.75) TACR1RHOCRHOATACR3
SCHEMBL7614360 0.85 TACR1 (0.71) TACR1RHOCRHOATACR3
SCHEMBL7614357 0.85 TACR1 (0.71) TACR1RHOCRHOATACR3
SCHEMBL8500550 0.85 TACR1 (0.71) TACR1RHOCRHOATACR3

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
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
US-5935951-A ANTAGONIST AGAINST SUBSTANCE P NOVARTIS FINANCE CORPORATION (US) 1999-08-10 US disclosed