SCHEMBL5279985

SCHEMBL5279985

Cn1cc(-c2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ABL1 P00519 3/20 0.44
TSHR P16473 1/20 0.42
BCR P11274 1/20 0.42
NTRK1 P04629 3/20 0.41
NTRK2 Q16620 3/20 0.41
CSF1R P07333 1/20 0.41
KCNH2 Q12809 3/20 0.40
ACACB O00763 1/20 0.37
RET P07949 1/20 0.37
TEK Q02763 2/20 0.37
ALPL P05186 1/20 0.37
GPR6 P46095 1/20 0.37
EPHB4 P54760 1/20 0.37
HTR2C P28335 1/20 0.36
NTRK3 Q16288 1/20 0.36
KDR P35968 1/20 0.36
MET P08581 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL2026495 0.80 CHRM5 (0.53) CHRM5ALDH1A1ABL1BCRNTRK1
SCHEMBL5243815 0.79 ALDH1A1 (0.52) ALDH1A1TSHRKCNH2ACACBHTR2C
SCHEMBL5243418 0.77 ALDH1A1 (0.50) ALDH1A1TSHRKCNH2ACACBHTR2C
SCHEMBL5242171 0.73 ALDH1A1 (0.43) CHRM5ALDH1A1TSHRACACBHTR2C
SCHEMBL5239908 0.72 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL5240643 0.71 ALDH1A1 (0.50) ALDH1A1TSHRKCNH2ACACBHTR2C
SCHEMBL5243643 0.71 ALDH1A1 (0.41) CHRM5ALDH1A1TSHRKCNH2RAB9A
SCHEMBL5241430 0.70 ALDH1A1 (0.52) ALDH1A1TSHRKCNH2ACACBHTR2C
SCHEMBL5240721 0.69 ALDH1A1 (0.50) CHRM5ALDH1A1TSHRKCNH2ACACB
SCHEMBL2024736 0.68 ABL1 (0.45) CHRM5ALDH1A1ABL1BCRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP claimed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO claimed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed