SCHEMBL29939879

SCHEMBL29939879

O=C(O)N1CCN(c2ccccc2CNCCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
GAA P10253 2/20 0.60
MC4R P32245 13/20 0.54
MPO P05164 1/20 0.50
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
AR P10275 1/20 0.45

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
SCHEMBL24641660 0.85 MEN1 (0.59) KMT2AMEN1GAAMC4R
SCHEMBL30017789 0.85 MEN1 (0.59) KMT2AMEN1GAAMC4R
SCHEMBL29939233 0.81 ALDH1A1 (0.53) KMT2AMEN1GAALMNAMAPT
SCHEMBL27093513 0.80 GAA (0.55) KMT2AMEN1GAAMC4RMPO
SCHEMBL418681 0.80 RBP4 (0.46) KMT2AMEN1GAAMC4R
SCHEMBL29939353 0.79 KMT2A (0.50) KMT2AMEN1GAALMNAMAPT
SCHEMBL29939675 0.79 MAPT (0.50) KMT2AMEN1GAALMNAMAPT
SCHEMBL27737040 0.76 GRM5 (0.48) KMT2AMEN1GAALMNAMAPT
SCHEMBL1902630 0.75 NCF1 (0.55) KMT2AMEN1GAAMC4RLMNA
SCHEMBL2558196 0.73 KMT2A (0.59) KMT2AMEN1GAAMC4RMAPT

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