SCHEMBL29947237

SCHEMBL29947237

O=[N+]([O-])c1ccccc1N1CCC(Oc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
KMT2A Q03164 1/20 0.50
SCD O00767 1/20 0.48
GRM5 P41594 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
MITF O75030 1/20 0.45
CCR6 P51684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ENPP2 Q13822 3/20 0.45
TDP1 Q9NUW8 2/20 0.43
NAMPT P43490 1/20 0.43
DRD4 P21917 1/20 0.43
HSD11B1 P28845 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL14206594 0.80 HTT (0.52) HTTKMT2ASCDGRM5MAPT
SCHEMBL23043784 0.78 HTT (0.54) HTTKMT2AGRM5MAPTALDH1A1
SCHEMBL1274938 0.78 HTT (0.73) HTTKMT2AGRM5MAPTALDH1A1
SCHEMBL20524657 0.78 GPR6 (0.50) HTTKMT2ASCDMAPTALDH1A1
SCHEMBL8259200 0.78 MAPT (0.60) HTTKMT2AMAPTALDH1A1LMNA
SCHEMBL30784064 0.78 MAPT (0.60) HTTKMT2AGRM5MAPTALDH1A1
SCHEMBL3436179 0.78 KMT2A (0.56) HTTKMT2AGRM5MAPTALDH1A1
SCHEMBL11507421 0.78 HTT (0.56) HTTKMT2AGRM5MAPTALDH1A1
SCHEMBL3704174 0.78 MAPT (0.65) KMT2AMAPTALDH1A1TDP1NAMPT
SCHEMBL29788336 0.77 TDP1 (0.69) HTTKMT2AGRM5MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337206-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2024-03-20 EP disclosed
WO-2022240992-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2022-11-17 WO disclosed