SCHEMBL6982631

SCHEMBL6982631

COc1cc2c(cc1OC)CN(C(=O)C(NCc1nc3ccccc3n1C)C(C)(C)C)CC2

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 18/20 0.69
HCRTR1 O43613 7/20 0.69
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL6400308 0.83 HCRTR2 (0.73) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL6333557 0.82 HCRTR2 (1.00) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL30417508 0.78 HCRTR2 (1.00) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL264626 0.78 HCRTR2 (1.00) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL6326464 0.78 HCRTR2 (1.00) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL12978652 0.78 HCRTR2 (1.00) HCRTR2HCRTR1KDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL15544842 0.78 HCRTR2 (0.98) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL6328598 0.76 HCRTR2 (0.81) HCRTR2HCRTR1
SCHEMBL6331702 0.76 HCRTR2 (0.71) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL6333854 0.76 HCRTR2 (0.71) HCRTR2HCRTR1KDM4EALDH1A1TSHR

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-1288202-A1 N-ACYLTETRAHYDROISOQUINOLINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-05 EP disclosed