SCHEMBL7086630

SCHEMBL7086630

COc1cc2c(cc1OC)CN(C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 1.00
HCRTR1 O43613 6/20 1.00
KMT2A Q03164 3/20 0.61
NPC1 O15118 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GPR183 P32249 1/20 0.53
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL6325198 0.91 HCRTR2 (1.00) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6326967 0.88 HCRTR2 (0.79) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6428456 0.82 HCRTR2 (0.76) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6324543 0.81 HCRTR2 (0.75) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6332961 0.79 HCRTR2 (0.70) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL18766747 0.79 HCRTR2 (0.70) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6324675 0.78 HCRTR2 (0.76) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6326677 0.78 HCRTR2 (0.76) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL6326918 0.78 HCRTR2 (0.76) HCRTR2HCRTR1KMT2ANPC1KDM4E
SCHEMBL5022449 0.76 HCRTR2 (0.66) HCRTR2HCRTR1KMT2ANPC1KDM4E

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