SCHEMBL11638138

SCHEMBL11638138

CC1CN(c2ccc(N)nn2)C(C)CO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.39
▸ DRD3 P35462 4/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ FFAR2 O15552 5/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ RPTOR Q8N122 1/20 0.36
▸ MLST8 Q9BVC4 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR3C2 P08235 6/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ KIF18A Q8NI77 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
SCHEMBL11634917 0.84 DRD2 (0.38) DRD2DRD3DRD4FFAR2PIK3CA
SCHEMBL11634425 0.82 DRD2 (0.41) DRD2DRD3DRD4PIK3CAMTOR
SCHEMBL12235941 0.79 FFAR2 (0.38) DRD2DRD3DRD4FFAR2KMT2A
SCHEMBL15651256 0.79 FFAR2 (0.38) DRD2DRD3DRD4FFAR2KMT2A
SCHEMBL11636528 0.79 NNMT (0.39) FFAR2MTORKMT2ANR3C2NR3C1
SCHEMBL24374635 0.77 MTOR (0.54) PIK3CAMTORRPTORMLST8
SCHEMBL11634928 0.77 MTOR (0.54) PIK3CAMTORRPTORMLST8
SCHEMBL30138377 0.74 NR3C2 (0.46) FFAR2PIK3CAMTORKMT2ANR3C2
SCHEMBL11636266 0.74 NR3C2 (0.46) FFAR2PIK3CAMTORKMT2ANR3C2
SCHEMBL20929742 0.74 NR3C2 (0.46) FFAR2PIK3CAMTORKMT2ANR3C2

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
US-4104385-A Cyclic alkylidenyl N-[6-(amino)-3-pyridazinyl]aminomethylenemalonates STERLING DRUG INC. (US) 1978-08-01 — — US disclosed
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