SCHEMBL18862134

SCHEMBL18862134

CC(C)(C)c1cn(C(C)(C)CCOC(C)(C)C(C)(C)C)nn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL23979222 0.82 GABRA2 (0.36) GABRA2GABRB2
SCHEMBL18862115 0.79
SCHEMBL18862124 0.77
SCHEMBL18972971 0.77 DPP4 (0.33) GABRA2GABRB2
SCHEMBL18077443 0.73 GABRA2 (0.35) GABRA2GABRB2
SCHEMBL23157212 0.73
SCHEMBL18861917 0.70
SCHEMBL21151847 0.70 DPP4 (0.32)
SCHEMBL20997333 0.69 DPP4 (0.33) GABRA2GABRB2
SCHEMBL18367628 0.69 DPP4 (0.33) GABRA2GABRB2

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-9650404-B2 Curcumin derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-05-16 US disclosed