SCHEMBL27797263

SCHEMBL27797263

NCCC(O)c1cc(Br)cc(CN)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
TAAR1 Q96RJ0 1/20 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
SCHEMBL4169198 0.79 TACR1 (0.34)
SCHEMBL4171160 0.79 ADRB2 (0.34)
SCHEMBL27797385 0.78 IDO1 (0.31) IDO1
SCHEMBL27776417 0.78 ALDH1A1 (0.35)
SCHEMBL7148283 0.74 BLM (0.47) TAAR1
SCHEMBL1765119 0.73 IDO1 (0.52) IDO1TAAR1
SCHEMBL236979 0.73 TAAR1 (0.44) IDO1TAAR1
SCHEMBL19331807 0.71 HTR2A (0.45) TAAR1
SCHEMBL1872002 0.71 IDO1 (0.50) IDO1TAAR1
SCHEMBL7787305 0.68 CYP3A4 (0.31) IDO1

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
CN-101686665-A styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2010-03-31 CN disclosed