SCHEMBL21093199

SCHEMBL21093199

CCCc1cn(C(C)(C)CCOC(C)(C)CCN)nn1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
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
SCHEMBL22701246 0.90
SCHEMBL25495045 0.81 CYP4F2 (0.32) CYP19A1GABRA2GABRB2
SCHEMBL24334754 0.79 CYP19A1 (0.31) CYP19A1
SCHEMBL19262485 0.74
SCHEMBL22701239 0.72
SCHEMBL22791067 0.72 CYP4F2 (0.32)
SCHEMBL24333892 0.71
SCHEMBL22787018 0.71 CYP4F2 (0.30)
SCHEMBL15222209 0.70 GABRA2 (0.45) CYP19A1GABRA2GABRB2
SCHEMBL24029347 0.70 KMT2A (0.38)

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
WO-2019112965-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF MACROMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-13 WO disclosed