SCHEMBL10380873

SCHEMBL10380873

CC(C)c1ccc2c(c1)[C@@H]1Cc3ccccc3[C@@H]1N2.COc1ccc2c(c1)[C@@H]1Cc3ccccc3[C@@H]1N2C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
HTR2A P28223 1/20 0.34
KIF11 P52732 1/20 0.34
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNQ2 O43526 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
SCHEMBL8946974 0.81 HTR2A (0.45) LMNAMAPTHTR2AOPRM1DRD2
SCHEMBL8946988 0.81 HTR2A (0.45) LMNAMAPTHTR2AOPRM1DRD2
SCHEMBL8946497 0.81 KDM4E (0.43) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946972 0.81 HTR2A (0.45) LMNAMAPTHTR2AOPRM1DRD2
SCHEMBL8946506 0.81 KDM4E (0.43) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946500 0.81 KDM4E (0.43) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946368 0.80 MAPT (0.52) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946364 0.80 MAPT (0.52) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946374 0.80 MAPT (0.52) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL8946341 0.80 HPGD (0.78) HPGDKDM4EALDH1A1LMNAMAPT

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
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO claimed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed