SCHEMBL4723668

SCHEMBL4723668

Cc1cc(CO)cc(-c2nn(-c3cc(Br)ccc3C(F)(F)F)c(=O)c3ncccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.36
AKR1B1 P15121 1/20 0.35
LMNA P02545 1/20 0.33
ELANE P08246 1/20 0.33
NTRK1 P04629 2/20 0.32

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
SCHEMBL4722324 0.85 L3MBTL1 (0.32) TACR1AKR1B1LMNA
SCHEMBL4720655 0.75 NTRK1 (0.34) LMNANTRK1
SCHEMBL4720084 0.73 NAMPT (0.33) TACR1LMNANTRK1
SCHEMBL4719909 0.71 TRPV1 (0.35) TACR1LMNA
SCHEMBL4723705 0.69 TRPV1 (0.30)
SCHEMBL4723153 0.69 NTRK1 (0.33) LMNANTRK1
SCHEMBL4721659 0.69 RIOK2 (0.35)
SCHEMBL4724242 0.68 SLC40A1 (0.35) TACR1
SCHEMBL4720511 0.68 SLC40A1 (0.35) TACR1
SCHEMBL4720512 0.68 SLC40A1 (0.35) 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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed