SCHEMBL6628829

SCHEMBL6628829

COc1cccc2[nH]c3c(c12)CCC3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.54
PARP1 P09874 2/20 0.53
MAPK10 P53779 1/20 0.49
RIPK1 Q13546 1/20 0.49
MAPKAPK2 P49137 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
ACHE P22303 1/20 0.43
EGFR P00533 1/20 0.43
PARP2 Q9UGN5 1/20 0.42
ADRA1A P35348 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.40
PDE5A O76074 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4101907 0.97 HTR2C (0.54) HTR2CPARP1MAPK10RIPK1MAPKAPK2
SCHEMBL4525164 0.80 MAPKAPK2 (0.53) HTR2CPARP1MAPK10RIPK1MAPKAPK2
SCHEMBL4114928 0.78 HTR2C (0.48) HTR2CPARP1MAPK10RIPK1MAPKAPK2
SCHEMBL13711871 0.78 KDM4E (0.57) HTR2CMAPK10RIPK1ADRA1AKDM4E
SCHEMBL24408232 0.77 NR2E1 (0.56) HTR2CMAPK10RIPK1MAPKAPK2ADRA1A
SCHEMBL26836954 0.77 MAPKAPK2 (0.56) HTR2CPARP1MAPK10RIPK1MAPKAPK2
SCHEMBL25774091 0.77 HTR2C (0.46) HTR2CPARP1MAPK10RIPK1PARP2
SCHEMBL14191559 0.76 PARP1 (0.43) HTR2CPARP1MAPK10RIPK1MAPKAPK2
SCHEMBL4904443 0.75 HTR2C (0.47) HTR2CPARP1MAPK10RIPK1MAPKAPK2
SCHEMBL7410402 0.75 CHRM3 (0.59) HTR2CMAPK10RIPK1MAPKAPK2ADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO disclosed