SCHEMBL6583545

SCHEMBL6583545

CC(C)(C)OC(=O)N1CCC(CCNc2ccnc(Cl)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
ACHE P22303 2/20 0.48
GPR119 Q8TDV5 13/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44

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
SCHEMBL4646351 0.90 KDM4E (0.53) FAAHACHEGPR119KDM4EPKM
SCHEMBL6582539 0.85 NOS2 (0.44) FAAHGPR119
SCHEMBL30000193 0.84 ALDH1A1 (0.56) ACHEGPR119CCNT1DDB1CRBN
SCHEMBL1748523 0.84 ALDH1A1 (0.56) ACHEGPR119CCNT1DDB1CRBN
SCHEMBL23088145 0.82 FAAH (0.43) FAAHACHEGPR119KDM4EPKM
SCHEMBL20618555 0.82 FAAH (0.43) FAAHACHEGPR119KDM4EPKM
SCHEMBL6585898 0.82 GPR119 (0.48) GPR119KDM4EPKM
SCHEMBL19461969 0.81 FAAH (0.50) FAAHGPR119KDM4EPKM
SCHEMBL6584233 0.80 KDM4E (0.51) FAAHACHEGPR119KDM4EPKM
SCHEMBL2331813 0.80 USP30 (0.50) ACHEDDB1CRBN

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-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed