SCHEMBL8790642

SCHEMBL8790642

CCOc1noc2c1[C@@H](N(C)CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 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
SCHEMBL5724916 1.00 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5727812 0.92 HTR2A (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8790520 0.85 TBXA2R (0.33)
SCHEMBL5725514 0.85 TBXA2R (0.33)
SCHEMBL5725511 0.85 TBXA2R (0.33)
SCHEMBL5724914 0.80 SCN5A (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5724872 0.75 HTR2A (0.40)
SCHEMBL7979790 0.74 CHRM3 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7979788 0.74 CHRM3 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
Bromide SCHEMBL7977250 0.73 CHRM3 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3

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-0812318-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1997-12-17 EP disclosed
WO-1996026929-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-09-06 WO disclosed