SCHEMBL6963190

SCHEMBL6963190

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)ccc3C2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.39
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GHSR Q92847 1/20 0.32
SRC P12931 1/20 0.31
PABPC1 P11940 1/20 0.31
NPR3 P17342 1/20 0.31
RORC P51449 4/20 0.30
CACNA1B Q00975 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6963186 1.00 SCN9A (0.39) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6961693 0.95 SCN9A (0.38) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6961689 0.95 SCN9A (0.38) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6967088 0.94 SCN9A (0.34) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6967090 0.94 SCN9A (0.34) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6968593 0.91 SCN9A (0.33) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6965676 0.90 PABPC1 (0.41) SCN9APABPC1NPR3
SCHEMBL6965678 0.90 PABPC1 (0.41) SCN9APABPC1NPR3
SCHEMBL6964322 0.90 ALDH1A1 (0.40) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6964320 0.90 ALDH1A1 (0.40) SCN9AKDM4EALDH1A1GLAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed