SCHEMBL29496154

SCHEMBL29496154

Fc1ccc2ccc(N3CC4CCC(C3)O4)nc2c1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ SHMT2 P34897 3/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CA P42336 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ PIK3R1 P27986 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL28722024 0.75 GAA (0.55) SHMT2GAAKMT2A
SCHEMBL29496103 0.75 GAA (0.55) SHMT2GAAKMT2A
SCHEMBL29496047 0.75 SHMT2 (0.43) SHMT2GAA
SCHEMBL28722897 0.75 SHMT2 (0.43) SHMT2GAA
SCHEMBL29495870 0.71 REN (0.32) MAP3K12MTORPIK3CAPIK3R1
SCHEMBL22969281 0.71 REN (0.32) MAP3K12MTORPIK3CAPIK3R1
SCHEMBL29495968 0.71 GAA (0.50) SHMT2GAA
SCHEMBL29496133 0.71 MAP3K12 (0.31) MAP3K12MTOR
SCHEMBL16125192 0.70 BACE1 (0.41) GAA
SCHEMBL21162698 0.68 KMT2A (0.41) MAP3K12MTORPIK3CALRRK2KMT2A

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-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 — — EP disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN disclosed
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