SCHEMBL21608034

SCHEMBL21608034

COc1cccc(C(C)N2CCC(Cc3ccc(C(F)(F)F)nc3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.37
NR1H2 P55055 6/20 0.36
NR1H3 Q13133 6/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ENPP2 Q13822 3/20 0.33
PHGDH O43175 1/20 0.33
CCR5 P51681 1/20 0.32
FFAR1 O14842 2/20 0.32
MGLL Q99685 1/20 0.32
P2RX7 Q99572 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
SCHEMBL21608031 1.00 KCNK3 (0.37) KCNK3NR1H2NR1H3GABRA1GABRG2
SCHEMBL21608569 0.88 TRPV6 (0.37)
SCHEMBL21608560 0.88 TRPV6 (0.37)
SCHEMBL21608552 0.88 TRPV6 (0.37)
SCHEMBL21608568 0.88 TRPV6 (0.37)
SCHEMBL23868330 0.88 PTGDR2 (0.32) HRH3
SCHEMBL23868331 0.88 PTGDR2 (0.32) HRH3
SCHEMBL23868333 0.88 PTGDR2 (0.32) HRH3
SCHEMBL21608183 0.86 MGLL (0.35) KCNK3GABRA1GABRG2GABRB3GABRA3
SCHEMBL21608177 0.86 MGLL (0.35) KCNK3GABRA1GABRG2GABRB3GABRA3

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-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed