SCHEMBL21088950

SCHEMBL21088950

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.31
HTR2C P28335 2/20 0.31
KDM1A O60341 3/20 0.31
HTR4 Q13639 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
SCHEMBL21088867 0.87 HTR4 (0.35) DRD2HTR2CKDM1AHTR4
SCHEMBL25924094 0.87 OPRM1 (0.30)
SCHEMBL20107004 0.81 KDM1A (0.30) KDM1A
SCHEMBL19873928 0.78 DRD2 (0.31) DRD2HTR2C
SCHEMBL21088777 0.75 KDM1A (0.40) KDM1A
SCHEMBL25923922 0.75
SCHEMBL21089313 0.73 EPHX2 (0.35) DRD2KDM1A
SCHEMBL25923917 0.73 ALDH1A1 (0.32)
SCHEMBL25923913 0.73 KDM1A (0.33) KDM1A
SCHEMBL21088369 0.73 POLB (0.38) 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-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed