SCHEMBL5215973

SCHEMBL5215973

C1=CC2(c3ccc(-c4ccc[nH]4)nc3)CCN(C1)C2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
CHEK1 O14757 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
Bromide SCHEMBL4481198 0.99 KDR (0.31) KDR
SCHEMBL4463819 0.81 HSD11B1 (0.38)
Bromide SCHEMBL4466117 0.81 HSD11B1 (0.37)
SCHEMBL5218539 0.80 CYP11B1 (0.36) KDM4C
SCHEMBL4465415 0.79 NPC1 (0.36)
SCHEMBL1483281 0.79
Bromide SCHEMBL4467487 0.79 CYP11B1 (0.36)
SCHEMBL4465250 0.78 KDM1A (0.40)
SCHEMBL4470038 0.78 HPGDS (0.39)
SCHEMBL4463770 0.78 ALOX5AP (0.34) CHEK1

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-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed