SCHEMBL29939249

SCHEMBL29939249

O=C(O)N1CCN(c2ccc(NCCc3ccccc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
GFER P55789 4/20 0.61
GAA P10253 3/20 0.61
ALOX15 P16050 2/20 0.61
ALOX12 P18054 2/20 0.61
MAPK1 P28482 1/20 0.61
ME2 P23368 2/20 0.53
ME1 P48163 2/20 0.53
ME3 Q16798 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
TP53 P04637 1/20 0.51
SCD O00767 1/20 0.50
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL24641734 0.90 MAPT (0.77) MAPTGFERGAAALOX15ALOX12
SCHEMBL24641779 0.88 MAPT (0.59) MAPTGFERGAAALOX15ALOX12
SCHEMBL24641973 0.86 MAPT (0.58) MAPTGFERGAAALOX15ALOX12
SCHEMBL24641498 0.84 MAPT (0.56) MAPTGFERGAAALOX15ALOX12
SCHEMBL24641788 0.83 NAMPT (0.59) MAPTGFERGAAALOX15ALOX12
SCHEMBL29939926 0.83 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL29939233 0.83 ALDH1A1 (0.53) MAPTGFERGAAALOX15ALOX12
SCHEMBL24641731 0.82 MAPT (0.54) MAPTGFERGAAALOX15ALOX12
SCHEMBL19212419 0.82 MEN1 (0.52) MAPTGFERGAAALOX15ALOX12
SCHEMBL24641958 0.82 HTR6 (0.62) MAPTGFERGAAALOX15ALOX12

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-2022218440-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 青岛睿吉医疗技术有限公司 2022-10-20 WO disclosed