SCHEMBL9223766

SCHEMBL9223766

CC(Cc1ccccc1N)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.39
▸ GRIA4 P48058 1/20 0.37
▸ AOC3 Q16853 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ FDPS P14324 1/20 0.35
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33

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
SCHEMBL25189065 0.90 TAAR1 (0.43) TAAR1GRIA4AOC3ESR1ESR2
SCHEMBL8583523 0.77 TAAR1 (0.52) TAAR1ESR1ESR2
SCHEMBL270111 0.76 GABRA1 (0.52) TAAR1FDPS
SCHEMBL1724429 0.74 SLC6A2 (0.52) TAAR1
SCHEMBL5949977 0.74 ESR1 (0.63) TAAR1GRIA4ESR1ESR2
SCHEMBL1100456 0.74 ESR1 (0.63) TAAR1GRIA4ESR1ESR2
SCHEMBL311572 0.74 ESR1 (0.63) TAAR1GRIA4ESR1ESR2
SCHEMBL9645646 0.73 FDPS (0.41) TAAR1ESR1FDPS
SCHEMBL8732205 0.73 TAAR1 (0.52) TAAR1AOC3ESR1ESR2
SCHEMBL4931748 0.72 FDPS (0.39) ESR1FDPSNOS2

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-5470943-A Fibers formed by injection molding of polyimides MITSUI TOATSU CHEMICALS, INC. (JP) 1995-11-28 — — US disclosed
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