SCHEMBL4417432

SCHEMBL4417432

C1=CN=C(N2CCCCC2)NC=C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9070322 0.82 CHKA (0.33) CHKAUSP2SMN1; SMN2TDP1HPGD
SCHEMBL3712448 0.81 CHRNB2 (0.33)
SCHEMBL28880919 0.68
SCHEMBL1681227 0.65 TDP1 (0.33) USP2SMN1; SMN2TDP1
SCHEMBL14964964 0.64
SCHEMBL28166120 0.64
SCHEMBL28645287 0.62
SCHEMBL14675777 0.61 POLB (0.32) HPGD
SCHEMBL7963685 0.61 NISCH (0.37)
SCHEMBL5134286 0.61

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-1696931-B1 AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARM INC (US) 2009-03-25 EP disclosed