SCHEMBL20106760

SCHEMBL20106760

CCNC(=O)CN1CC2(CC(NC3CC3)C2)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
FAAH O00519 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
KDM1A O60341 3/20 0.30
MAOB P27338 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 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
SCHEMBL25924039 0.82 ALDH1A1 (0.35) ALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL25924049 0.81 CHRM5 (0.44) ALDH1A1FAAHSIGMAR1KDM1ASMN1; SMN2
SCHEMBL25924065 0.80 KDM1A (0.30) KDM1A
SCHEMBL21349220 0.80 HTT (0.42) ALDH1A1L3MBTL1SIGMAR1THRBATM
SCHEMBL21088369 0.78 POLB (0.38) KDM1A
SCHEMBL25923913 0.76 KDM1A (0.33) KDM1A
SCHEMBL25923869 0.73 NPSR1 (0.33) KDM1AHTT
SCHEMBL21088950 0.72 DRD2 (0.31) KDM1A
SCHEMBL20106998 0.71 AR (0.30)
SCHEMBL21088777 0.71 KDM1A (0.40) ALDH1A1KDM1A

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-3532459-B1 LSD1 INHIBITORS AND MEDICAL USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2023-08-02 EP disclosed
WO-2018081343-A1 LSD1 INHIBITORS AND MEDICAL USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed