SCHEMBL25923950

SCHEMBL25923950

OCC(O)CN1CCC2(CC1)CC(NC1CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KDM1A O60341 5/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL25923906 0.78 KDM1A (0.46) SMN1; SMN2KDM1AKMT2AALDH1A1
SCHEMBL25923900 0.76
SCHEMBL25923937 0.75 KDM1A (0.40) KDM1ACYP2D6
SCHEMBL25923931 0.71 HTR4 (0.33) KDM1ACYP2D6
SCHEMBL21088586 0.70 KDM1A (0.31) KDM1A
SCHEMBL21088883 0.70 KDM1A (0.44) HTTSMN1; SMN2KDM1A
SCHEMBL21088867 0.70 HTR4 (0.35) KDM1A
SCHEMBL25924012 0.69 L3MBTL1 (0.45) MAPTHTTSMN1; SMN2KDM1AMEN1
SCHEMBL25923925 0.68 KDM1A (0.42) KDM1ACYP2D6
SCHEMBL25924008 0.68 KDM1A (0.32) KDM1A

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-3532459-B1 LSD1 INHIBITORS AND MEDICAL USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2023-08-02 EP disclosed