SCHEMBL20117307

SCHEMBL20117307

CC(C)n1cc2c(n1)CN(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.40
MAOB P27338 4/20 0.40
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
DRD3 P35462 2/20 0.36
SLC6A4 P31645 1/20 0.35
JAK2 O60674 1/20 0.34
AADAT Q8N5Z0 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL25616870 0.86 MAOA (0.40) MAOAMAOBDRD2DRD1DRD4
SCHEMBL17624284 0.85 AADAT (0.36) JAK2AADAT
SCHEMBL24329407 0.83 AADAT (0.33) JAK2AADAT
SCHEMBL26997354 0.79 AADAT (0.31) AADAT
SCHEMBL15980400 0.78 MAOA (0.45) MAOAMAOBDRD2DRD1DRD4
SCHEMBL19256651 0.74 HDAC8 (0.40) AADAT
SCHEMBL12250991 0.74 HDAC8 (0.43) AADAT
SCHEMBL19040098 0.73 AADAT (0.36) JAK2AADAT
SCHEMBL18034940 0.72 MAOA (0.40) MAOAMAOBDRD2DRD1DRD4
SCHEMBL24817957 0.72 OGA (0.36) DRD2JAK2AADAT

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
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed