SCHEMBL14628630

SCHEMBL14628630

COc1cccc2[nH]c3c(c12)C(CCCO)CC3

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
MAPKAPK2 P49137 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
PARP1 P09874 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
SLC2A1 P11166 1/20 0.35
MAPK10 P53779 1/20 0.35
RIPK1 Q13546 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 3/20 0.34
GALR3 O60755 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL14628611 0.88 HTR2C (0.42) HTR2CMAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL14628603 0.85 ALDH1A1 (0.41) MAPKAPK2KDM4EALDH1A1MAPTMTNR1A
SCHEMBL14628605 0.83 MAPKAPK2 (0.43) HTR2CMAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL14628631 0.83 HTR2C (0.42) HTR2CMAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL14628604 0.74 HTR2C (0.43) HTR2CMAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL14628656 0.73 MAPKAPK2 (0.45) HTR2CMAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL14598623 0.73 MAPKAPK2 (0.45) HTR2CMAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL16585852 0.71 MAPKAPK2 (0.43) HTR2CMAPKAPK2KDM4EALDH1A1MAPT
SCHEMBL14628607 0.71 DDB1 (0.38) MAPKAPK2KDM4EALDH1A1MAPTMTNR1A
SCHEMBL14598613 0.69 PLA2G2A (0.44) MTNR1AMTNR1B

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
US-7160909-B2 Cyclopenta[b]indole derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed