SCHEMBL11089377

SCHEMBL11089377

CC1CC(C2CC(c3ccccc3O)=CCN2)Cc2c1[nH]c1ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRD1 P41143 1/20 0.33
ESR1 P03372 1/20 0.32
PGR P06401 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL11085155 0.88 MEN1 (0.36) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL11084255 0.88 SSTR3 (0.37) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL11085850 0.86 CA1 (0.40) CA1CA2CA4CA6MEN1
SCHEMBL11086889 0.86 SSTR3 (0.37) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL11084665 0.85 HTR2A (0.39) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL11092628 0.83 DRD2 (0.41) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL11085886 0.82 PDE5A (0.36) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL11081951 0.82 ESR1 (0.40) MEN1KMT2AALDH1A1ESR1PGR
SCHEMBL11089317 0.81 MEN1 (0.35) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL11093337 0.80 HTR7 (0.43) MEN1KMT2AKDM4ETSHRHTT

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-0115607-A1 Tetrahydrocarbazol derivatives MERCK PATENT GmbH (DE) 1984-08-15 EP disclosed