SCHEMBL8515547

SCHEMBL8515547

CC(C)Oc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
TBK1 Q9UHD2 2/20 0.47
CHRNA7 P36544 1/20 0.45
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
KMO O15229 1/20 0.43
PTPN11 Q06124 1/20 0.42
GPR119 Q8TDV5 6/20 0.41
CFTR P13569 1/20 0.41
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.40
PDE4D Q08499 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL8511601 0.89 ACHE (0.47) ACHETBK1CHRNA7DDB1CRBN
SCHEMBL8514838 0.86 ACHE (0.51) ACHETBK1CHRNA7DDB1CRBN
SCHEMBL8514120 0.85 KMO (0.40) KMOFAAH
SCHEMBL8514479 0.85 TBK1 (0.50) ACHETBK1CHRNA7DDB1CRBN
SCHEMBL8514988 0.85 KMO (0.39) ACHETBK1CHRNA7KMOFAAH
SCHEMBL8514987 0.85 KMO (0.39) ACHETBK1CHRNA7KMOFAAH
Hydrochloric Acid SCHEMBL8511092 0.84 KMO (0.40) KMOFAAH
SCHEMBL8515036 0.84 CKS1B (0.45) GPR119PDE4DCKS1BSKP1SKP2
SCHEMBL8515176 0.84 ACHE (0.47) ACHETBK1CHRNA7DDB1CRBN
SCHEMBL8510840 0.83 KMO (0.43) KMO

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed