SCHEMBL6996791

SCHEMBL6996791

CC1=C(N)Nc2cc(C(N)C(=O)OC(C)(C)C(C)c3ccco3)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6999571 0.85
SCHEMBL6998349 0.84 KCNH2 (0.34)
SCHEMBL8133148 0.83
SCHEMBL6999701 0.82 MEN1 (0.30)
SCHEMBL6997540 0.81 SMYD3 (0.38)
SCHEMBL7711553 0.76 CYP2C19 (0.32) CYP2C19
SCHEMBL8137237 0.76 ALOX5 (0.35)
SCHEMBL6995697 0.75 ALOX5 (0.31)
SCHEMBL6994308 0.74 CYP3A4 (0.32) CYP2C19
SCHEMBL6993302 0.74 ALOX5 (0.32)

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 3 patents. 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 disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed