SCHEMBL8025525

SCHEMBL8025525

[CH]1CCN(CCCN2CCC(c3nc4ccccc4s3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.58
DRD4 P21917 1/20 0.58
GRM2 Q14416 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 3/20 0.53
MEN1 O00255 1/20 0.52
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
SLC6A4 P31645 2/20 0.51
HTR7 P34969 2/20 0.51
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL6399328 0.94 DRD2 (0.65) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL7533466 0.86 DRD2 (0.60) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL14463703 0.86 DRD2 (0.63) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL7999797 0.81 DRD2 (0.54) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL14464365 0.80 DRD2 (0.65) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL31145168 0.80 DRD2 (0.58) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL144856 0.78 DRD2 (0.52) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL13202810 0.78 KMT2A (0.63) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL904827 0.78 LMNA (0.55) DRD2DRD4GRM2SMN1; SMN2ALDH1A1
SCHEMBL7503033 0.77 SMN1; SMN2 (0.61) DRD2DRD4GRM2SMN1; SMN2ALDH1A1

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
WO-2000030632-A1 ARYL AND HETEROARYL COMPOUNDS USEFUL AS FIBROBLAST GROWTH FACTOR ANTAGONISTS EISAI CO., LTD. (JP) 2000-06-02 WO claimed