SCHEMBL24075853

SCHEMBL24075853

C[C@H]1COc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP19A1 P11511 1/20 0.36
NISCH Q9Y2I1 2/20 0.35
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL8283549 1.00 LTA4H (0.37) LTA4HMEN1KMT2ACHRNB4CHRNA3
SCHEMBL24075799 1.00 LTA4H (0.37) LTA4HMEN1KMT2ACHRNB4CHRNA3
SCHEMBL12891532 0.81 MAP3K14 (0.38) LTA4HMEN1KMT2ACHRNB4CHRNA3
SCHEMBL12891533 0.81 MAP3K14 (0.38) LTA4HMEN1KMT2ACHRNB4CHRNA3
SCHEMBL10297720 0.81 MAP3K14 (0.38) LTA4HMEN1KMT2ACHRNB4CHRNA3
SCHEMBL14661123 0.77 LTA4H (0.40) LTA4HMEN1KMT2ACHRNB4CHRNA3
SCHEMBL19852041 0.77 P2RX7 (0.39) LTA4HMEN1KMT2ACYP19A1NISCH
SCHEMBL25442537 0.77 MEN1 (0.37) MEN1KMT2ACYP19A1
SCHEMBL25442536 0.77 MEN1 (0.37) MEN1KMT2ACYP19A1
SCHEMBL25442491 0.77 MEN1 (0.37) MEN1KMT2ACYP19A1

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-2021242581-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-02 WO disclosed