SCHEMBL9873015

SCHEMBL9873015

CC1CC(=O)c2c(n(C)c3ccccc23)S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.37
NQO2 P16083 1/20 0.37
ATM Q13315 1/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
LMNA P02545 2/20 0.36
NTRK1 P04629 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL9571788 0.73 ALDH1A1 (0.52) GPR3ALDH1A1TSHRKDM4ENQO2
SCHEMBL9870903 0.71 ALDH1A1 (0.47) GPR3ALDH1A1TSHRKDM4ENQO2
Hydrochloric Acid SCHEMBL9870422 0.70 PAX8 (0.35) GPR3KDM4ENQO2ATMERCC1
SCHEMBL19038517 0.69 KCNH2 (0.45) GPR3KDM4ENQO2ATMERCC1
SCHEMBL984 0.65 HTR2A (0.54) GPR3ALDH1A1TSHRKDM4ENQO2
SCHEMBL26168148 0.64 GPR3 (0.45) GPR3ALDH1A1TSHRKDM4ENQO2
SCHEMBL13157508 0.64 KCNH2 (0.55) KDM4EHSD17B10KCNH2
SCHEMBL1146660 0.63 HTR2A (0.51) GPR3ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL7428637 0.63 HTR2A (0.51) GPR3ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL30223533 0.63 HTR2A (0.51) GPR3ALDH1A1TSHRKDM4EHSD17B10

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-5030646-A Treatment of diseases resulting from disfunction of seretoninergic system ADIR ET COMPAGNIE (FR) 1991-07-09 US disclosed