SCHEMBL7868348

SCHEMBL7868348

NCCc1cc(F)cc(C(F)(F)F)c1.NCCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.51
IDO1 P14902 6/20 0.48
MAOB P27338 5/20 0.44
DAO P14920 1/20 0.43

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
SCHEMBL5426147 0.86 IDO1 (0.61) TAAR1IDO1MAOBDAO
SCHEMBL43792 0.86 TAAR1 (0.56) TAAR1IDO1MAOB
Hydrochloric Acid SCHEMBL4496729 0.84 IDO1 (0.64) TAAR1IDO1MAOBDAO
Hydrochloric Acid SCHEMBL3243140 0.84 TAAR1 (0.55) TAAR1IDO1MAOB
SCHEMBL7783884 0.78 TAAR1 (0.50) TAAR1IDO1MAOB
SCHEMBL626371 0.75 TAAR1 (0.64) TAAR1IDO1MAOBDAO
SCHEMBL44058 0.75 TAAR1 (0.45) TAAR1MAOB
SCHEMBL23891924 0.74 IDO1 (0.56) TAAR1IDO1MAOBDAO
SCHEMBL507107 0.73 IDO1 (0.62) TAAR1IDO1MAOBDAO
Hydrochloric Acid SCHEMBL1970957 0.73 TAAR1 (0.62) TAAR1IDO1MAOBDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed