SCHEMBL19953967

SCHEMBL19953967

Cc1cc(C(C)(C)C)n(C2CCN(C(C)C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 2/20 0.35
NR3C1 P04150 4/20 0.33
TLR9 Q9NR96 7/20 0.33
TLR8 Q9NR97 7/20 0.33
TLR7 Q9NYK1 7/20 0.33
KDM5A P29375 1/20 0.33
PIK3CD O00329 1/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL19954641 0.82 NR3C1 (0.35) HRH3NR3C1
SCHEMBL19953968 0.81 KDM4E (0.39) DRD2DRD4DRD3
SCHEMBL25745817 0.81 KDM4E (0.42) DRD2DRD4DRD3
SCHEMBL25745825 0.80 DRD2 (0.39) DRD2DRD4DRD3TLR9TLR8
SCHEMBL25745828 0.80 KDM4E (0.44)
SCHEMBL18161167 0.79 DRD2 (0.42) DRD2DRD4DRD3HRH3NR3C1
SCHEMBL24815012 0.78 DRD2 (0.40) DRD2DRD4DRD3TLR9TLR8
SCHEMBL24006953 0.78 ALOX15 (0.35) DRD2DRD4DRD3HRH3KDM5A
SCHEMBL25745827 0.77 DRD2 (0.41) DRD2DRD4DRD3
SCHEMBL19953969 0.77 TGFBR1 (0.40) DRD2DRD4DRD3

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-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 US disclosed