SCHEMBL6861877

SCHEMBL6861877

Cc1nc(C)c(Cl)c(NCc2nccc(SCCCN3CCNCC3)c2C)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
METAP1 P53582 17/20 0.41
METAP2 P50579 9/20 0.40
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL6861628 0.97 METAP1 (0.42) CYP1A2CYP2D6METAP1METAP2LMNA
Hydrochloric Acid SCHEMBL6861864 0.86 KDM4E (0.32) CYP2D6METAP1LMNA
SCHEMBL6866116 0.84 METAP1 (0.33) CYP2D6METAP1DRD2LMNA
SCHEMBL6861598 0.84 METAP2 (0.30) METAP1METAP2
SCHEMBL6866255 0.83 METAP1 (0.43) METAP1METAP2
SCHEMBL6870942 0.83 TLR8 (0.36) METAP1METAP2
SCHEMBL6865853 0.83 DYRK3 (0.30)
SCHEMBL6869698 0.82 CYP2D6 (0.44) CYP1A2CYP2D6METAP1METAP2DRD2
SCHEMBL6867898 0.81 METAP2 (0.31) METAP1METAP2
SCHEMBL6865777 0.80 POLB (0.38) METAP1METAP2LMNA

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-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed
EP-1091957-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-04-18 EP disclosed
WO-1999061439-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed