SCHEMBL29939675

SCHEMBL29939675

O=C(O)N1CCN(c2cccc(CNCCc3ccccc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
POLB P06746 3/20 0.50
GAA P10253 3/20 0.50
HTT P42858 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
GRM5 P41594 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44

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
SCHEMBL29939233 0.87 ALDH1A1 (0.53) MAPTMEN1KMT2AGAAHTT
SCHEMBL24641798 0.84 GPR119 (0.50) MAPTMEN1KMT2APOLBGAA
SCHEMBL30017169 0.84 GPR119 (0.50) MAPTMEN1KMT2APOLBGAA
SCHEMBL29939879 0.79 KMT2A (0.60) MAPTMEN1KMT2AGAALMNA
SCHEMBL18586080 0.78 GRM5 (0.52) MAPTMEN1KMT2APOLBGAA
SCHEMBL14830657 0.78 ITGB3 (0.48) MAPTMEN1KMT2APOLBHTT
SCHEMBL27857403 0.77 HTR1A (0.50) MAPTMEN1KMT2APOLBHTT
SCHEMBL29939249 0.75 MAPT (0.61) MAPTMEN1KMT2AGAALMNA
SCHEMBL5238969 0.75 USP2 (0.59) MAPTMEN1KMT2APOLBHTT
SCHEMBL14830659 0.75 SIGMAR1 (0.50) MAPTMEN1KMT2APOLBGAA

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