SCHEMBL31504192

SCHEMBL31504192

COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)nc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.53
LMNA P02545 4/20 0.52
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 2/20 0.51
MAPT P10636 3/20 0.50
NAMPT P43490 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 3/20 0.48
DRD4 P21917 1/20 0.48
GAA P10253 1/20 0.48
RCE1 Q9Y256 1/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL22495453 1.00 DGAT1 (0.53) DGAT1LMNAALDH1A1L3MBTL1HTT
SCHEMBL31504185 0.91 ALDH1A1 (0.51) DGAT1LMNAALDH1A1L3MBTL1HTT
SCHEMBL22495336 0.91 ALDH1A1 (0.51) DGAT1LMNAALDH1A1L3MBTL1HTT
SCHEMBL22495244 0.90 LMNA (0.54) LMNAALDH1A1L3MBTL1HTTMAPT
SCHEMBL31504183 0.90 LMNA (0.54) LMNAALDH1A1L3MBTL1HTTMAPT
SCHEMBL22495302 0.89 L3MBTL1 (0.60) DGAT1LMNAALDH1A1L3MBTL1HTT
SCHEMBL31504220 0.89 L3MBTL1 (0.60) DGAT1LMNAALDH1A1L3MBTL1HTT
SCHEMBL22495229 0.88 ALDH1A1 (0.47) LMNAALDH1A1L3MBTL1HTTMAPT
SCHEMBL31504231 0.88 ALDH1A1 (0.47) LMNAALDH1A1L3MBTL1HTTMAPT
SCHEMBL22495431 0.87 L3MBTL1 (0.57) DGAT1LMNAALDH1A1L3MBTL1HTT

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
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed