SCHEMBL5880946

SCHEMBL5880946

CC(=O)NC1(C(=O)O)Cc2c([nH]c3ccccc23)C(C2CC(C)CCC2C(C)C)C1.COC(=O)C1(NC(C)=O)CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
NMBR P28336 7/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
RB1 P06400 3/20 0.32
CHRNA7 P36544 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
CYP2D6 P10635 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5881166 0.90 MEN1 (0.37) TACR1MEN1KMT2AKDM4EHTT
SCHEMBL5881165 0.82 TACR1 (0.52) TACR1NMBRKDM4ERB1ALDH1A1
SCHEMBL5881088 0.78 TACR1 (0.66) TACR1NMBRKDM4EHSD17B10ALDH1A1
SCHEMBL5880965 0.74 TACR1 (0.60) TACR1NMBRMAPT
SCHEMBL5881089 0.71 KDM4E (0.41) TACR1MEN1KMT2AKDM4EHTT
SCHEMBL5881032 0.65 TACR1 (0.51) TACR1NMBRMEN1KMT2AKDM4E
SCHEMBL6609382 0.63 TACR1 (0.51) TACR1NMBRKMT2AKDM4EHSD17B10
SCHEMBL14003981 0.60 TACR1 (0.52) TACR1NMBRKMT2AKDM4EHSD17B10
SCHEMBL11838605 0.59 LMNA (0.47) TACR1KDM4ECHRNA7ALDH1A1MAPT
SCHEMBL30274452 0.58 PRMT5 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD

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
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US claimed
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US disclosed