SCHEMBL5822005

SCHEMBL5822005

[O-][N+]1(Cc2ccc(F)cc2)CC[N]CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
AGXT P21549 2/20 0.31

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
Hydrochloric Acid SCHEMBL5812081 0.78 IDO1 (0.34) IDO1LOXL2TAAR1AGXT
SCHEMBL5030489 0.69 PLA2G1B (0.33) TAAR1
SCHEMBL2298642 0.65 STAT3 (0.43)
SCHEMBL5871483 0.63 TAAR1 (0.45) IDO1LOXL2TAAR1
SCHEMBL1983107 0.63 CHRNA7 (0.61) IDO1LOXL2TAAR1
SCHEMBL2098314 0.62 KDM4E (0.56)
SCHEMBL11846749 0.61 HIF1A (0.41) IDO1LOXL2
SCHEMBL15692139 0.60 LMNA (0.37) IDO1LOXL2TAAR1AGXT
SCHEMBL894461 0.59 IDO1 (0.34) IDO1LOXL2TAAR1AGXT
SCHEMBL18872639 0.59 ALDH1A1 (0.37) LOXL2

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
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed