SCHEMBL10380867

SCHEMBL10380867

CC(C)c1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2.COc1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
OPRM1 P35372 3/20 0.40
HTR2A P28223 3/20 0.39
OPRD1 P41143 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
OPRK1 P41145 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL8946481 0.91 HTR2A (0.46) ALDH1A1MAPTOPRM1HTR2AOPRD1
SCHEMBL8946487 0.91 HTR2A (0.46) ALDH1A1MAPTOPRM1HTR2AOPRD1
SCHEMBL8946471 0.91 HTR2A (0.46) ALDH1A1MAPTOPRM1HTR2AOPRD1
SCHEMBL8946369 0.91 MAPT (0.49) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8946357 0.91 MAPT (0.49) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL8946362 0.91 MAPT (0.49) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL10381697 0.76 CA1 (0.46) ALDH1A1MAPTKDM4EHPGDOPRM1
SCHEMBL8946320 0.71 OPRM1 (0.42) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL8946330 0.71 OPRM1 (0.42) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL8946325 0.71 OPRM1 (0.42) ALDH1A1MAPTKDM4EHPGDMAPK1

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