SCHEMBL8968819

SCHEMBL8968819

Fc1ccc2c(c1)N=C1C3CC(C3)CN1C2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CCR3 P51677 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
CHRM1 P11229 1/20 0.30
HRH1 P35367 1/20 0.30
PAK1 Q13153 1/20 0.30

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
SCHEMBL8969755 0.89 EGFR (0.35) BCHEACHECHRNB2CHRNB4CHRNA3
SCHEMBL8969540 0.83 BCHE (0.32) BCHEACHE
SCHEMBL8969704 0.78 HTR2C (0.36) MAPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8968877 0.74 PDE3B (0.33) BCHEACHE
SCHEMBL8969988 0.71 CHRNB2 (0.35) ACHECHRNB2CHRNA7CHRNA4
SCHEMBL8968867 0.68 MAPK1 (0.32) MAPK1
SCHEMBL8968722 0.66 ACHE (0.30) ACHE
SCHEMBL8969705 0.65 ACHE (0.68) MAPK1BCHEACHECCR3
SCHEMBL8968393 0.64 ACHE (0.70) MAPK1BCHEACHE
SCHEMBL9385466 0.62 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed