SCHEMBL9319376

SCHEMBL9319376

CC(NC(=O)CN(C)C)C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.45
CCR2 P41597 4/20 0.41

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
SCHEMBL9396297 0.82 TACR1 (0.46) TACR1
SCHEMBL9318106 0.80 TACR1 (0.47) TACR1
SCHEMBL9392781 0.79 TACR1 (0.50) TACR1CCR2
SCHEMBL9396306 0.78 TACR1 (0.46) TACR1
SCHEMBL9565020 0.78 TACR1 (0.42) TACR1CCR2
SCHEMBL9318222 0.77 TACR1 (0.52) TACR1
SCHEMBL9318476 0.77 TACR1 (0.47) TACR1
SCHEMBL9317957 0.76 TACR1 (0.44) TACR1CCR2
SCHEMBL9392861 0.75 TACR1 (0.44) TACR1CCR2
SCHEMBL8911225 0.75 TACR1 (0.64) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593557-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. MERCK SHARP & DOHME (GB) 1994-04-27 EP disclosed