SCHEMBL7492597

SCHEMBL7492597

Cc1cc(C)c(-c2c(C)nn3c2nc(C)c2ccn(Cc4ccncc4)c23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.39
KDM4E B2RXH2 3/20 0.32
CHRM1 P11229 1/20 0.32
GRIN2B Q13224 1/20 0.32
LMNA P02545 1/20 0.32
NR2F2 P24468 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 1/20 0.31
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 3/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
MAPT P10636 2/20 0.30
PI4KB Q9UBF8 1/20 0.30
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL5826943 0.99 NPY1R (0.38) NPY1RKDM4ECHRM1GRIN2BLMNA
Hydrochloric Acid SCHEMBL5826984 0.89 NPY1R (0.39) NPY1RKDM4ELMNAHTTSMN1; SMN2
SCHEMBL6496723 0.88 NPY1R (0.38) NPY1RMEN1KMT2A
SCHEMBL5826785 0.88 NPY1R (0.38) NPY1RALDH1A1HPGDMAPTPI4KB
Hydrochloric Acid SCHEMBL6209582 0.87 MAPT (0.41) NPY1RKDM4ECHRM1GRIN2BLMNA
SCHEMBL5826461 0.86 NPY1R (0.50) NPY1RLMNAMAPT
SCHEMBL5826672 0.86 SLC2A1 (0.40) NPY1RKDM4ELMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5828250 0.83 NPY1R (0.40) NPY1RLMNAMAPT
Hydrochloric Acid SCHEMBL5827007 0.83 NPY1R (0.42) NPY1RKDM4ELMNAHTTSMN1; SMN2
SCHEMBL5826603 0.83 NPY1R (0.39) NPY1RKDM4ELMNAHTTSMN1; SMN2

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
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP disclosed