SCHEMBL7001780

SCHEMBL7001780

CC1=C(N)Nc2cc(CN(C)c3cccs3)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 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
Hydrochloric Acid SCHEMBL6988645 0.99 NR3C2 (0.33) NR3C2
Hydrochloric Acid SCHEMBL6992625 0.86 NR3C2 (0.32) NR3C2
Hydrochloric Acid SCHEMBL6999222 0.85 NR3C2 (0.31) NR3C2
SCHEMBL6996957 0.80 HDAC1 (0.36) NR3C2
Hydrochloric Acid SCHEMBL6995850 0.79 NR3C2 (0.33) NR3C2
Hydrochloric Acid SCHEMBL6992156 0.79 NR3C2 (0.33) NR3C2
Hydrochloric Acid SCHEMBL6991853 0.79 HDAC1 (0.35) NR3C2
Hydrochloric Acid SCHEMBL7001589 0.77 GBA1 (0.36) NR3C2
SCHEMBL8104372 0.77
Hydrochloric Acid SCHEMBL6994569 0.76

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-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP claimed