SCHEMBL9127376

SCHEMBL9127376

NC(=Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 16/20 0.53
▸ SIGMAR1 Q99720 1/20 0.47
▸ PPIF P30405 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL9125077 0.88 PPIA (0.62) PPIAPPIF
SCHEMBL2783284 0.86 PPIA (0.58) PPIAPPIF
SCHEMBL9125087 0.84 PPIA (0.59) PPIAPPIFNPC1MAPTRAB9A
SCHEMBL9126116 0.81 PPIA (0.64) PPIAPPIF
SCHEMBL9125727 0.81 PPIA (0.56) PPIAPPIF
SCHEMBL9126615 0.79 PPIA (0.48) PPIASIGMAR1PPIF
SCHEMBL9122341 0.79 PPIA (0.51) PPIASIGMAR1PPIF
SCHEMBL9128504 0.78 NPC1 (0.54) PPIANPC1RAB9A
SCHEMBL9124791 0.78 NPC1 (0.51) PPIASIGMAR1PPIFNPC1MAPT
SCHEMBL9124960 0.77 PPIA (0.47) PPIASIGMAR1PPIFMAPT

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
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 — — US disclosed
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