SCHEMBL17590076

SCHEMBL17590076

Clc1cc(NCC2CCCCO2)c2ncc(-c3ccc(-c4cnc(C5CC5)[nH]4)cc3)n2n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.47
TTK P33981 9/20 0.40

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
SCHEMBL10279486 1.00 ERN1 (0.47) ERN1TTK
SCHEMBL17425377 0.97 ERN1 (0.47) ERN1TTK
SCHEMBL457529 0.97 ERN1 (0.47) ERN1TTK
SCHEMBL457528 0.97 ERN1 (0.47) ERN1TTK
SCHEMBL12468680 0.87 TTK (0.46) TTK
SCHEMBL458093 0.85 ERN1 (0.49) ERN1TTK
SCHEMBL462456 0.85 TTK (0.46) TTK
SCHEMBL457398 0.85 TTK (0.46) TTK
SCHEMBL457094 0.85 TTK (0.46) TTK
SCHEMBL458814 0.81 TTK (0.52) ERN1TTK

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
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed