SCHEMBL24637979

SCHEMBL24637979

CC(C)OCCc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.55
SCN8A Q9UQD0 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FFAR1 O14842 2/20 0.41
IDH1 O75874 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MAOB P27338 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CNR1 P21554 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL800275 0.83 GLA (0.54) GLASCN8ASLC6A2SLC6A4SLC6A3
SCHEMBL24637978 0.81 GLA (0.55) GLASCN8AFFAR1IDH1FFAR4
SCHEMBL24637999 0.79 GLA (0.49) GLASCN8AFFAR1IDH1FFAR4
SCHEMBL2154019 0.78 GLA (0.53) GLAFFAR1FFAR4MRGPRX4MAOB
SCHEMBL19407048 0.78 GLA (0.55) GLASCN8ASLC6A2SLC6A4SLC6A3
SCHEMBL11929201 0.76 TAAR1 (0.53) MAOBHRH3ALDH1A1
SCHEMBL4934435 0.75 GLA (0.51) GLASCN8AFFAR1IDH1FFAR4
SCHEMBL17784702 0.75 GLA (0.49) GLASCN8AFFAR1IDH1FFAR4
SCHEMBL28865565 0.75 HTR2B (0.50) GLASCN8AFFAR1FFAR4MRGPRX4
SCHEMBL28248372 0.75 HTR2B (0.54) GLASCN8AFFAR1FFAR4MRGPRX4

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-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed