SCHEMBL25923869

SCHEMBL25923869

CC(=O)NCCN1CC2(CC(NC3CC3)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 4/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
PAOX Q6QHF9 2/20 0.31
OPRD1 P41143 1/20 0.31
NPC1 O15118 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
TSHR P16473 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
SCHEMBL21088777 0.77 KDM1A (0.40) KDM1A
SCHEMBL20106792 0.76 KDM1A (0.44) KDM1A
SCHEMBL25923857 0.76 KDM1A (0.31) KDM1A
SCHEMBL25923992 0.76 L3MBTL1 (0.40) KDM1AHTT
SCHEMBL25923883 0.73 KDM1A (0.32) KDM1A
SCHEMBL20106760 0.73 ALDH1A1 (0.32) KDM1AHTT
SCHEMBL20106910 0.73
SCHEMBL25923845 0.73 ALOX15 (0.33) KDM1A
SCHEMBL21089313 0.72 EPHX2 (0.35) KDM1A
SCHEMBL25923913 0.72 KDM1A (0.33) KDM1AGNAI3GNAO1GNAI1TSHR

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