Sugi Predict

Sugi Predict / Compounds / SCHEMBL8639129

SCHEMBL8639129

SCHEMBL8639129

CCCCCC#Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.46
▸ GRM5 P41594 7/20 0.46
▸ FAAH O00519 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL6862221 0.95 GRM5 (0.47) KCNH2GRM5CYP1A2
Formaldoxime SCHEMBL28675834 0.90 KDM4E (0.45) KCNH2GRM5FAAHCES1CYP1A2
SCHEMBL408472 0.87 GRM5 (0.49) KCNH2GRM5CYP1A2
SCHEMBL5094281 0.84 KCNH2 (0.39) KCNH2GRM5FAAHCES1
SCHEMBL5094273 0.84 KCNH2 (0.39) KCNH2GRM5FAAHCES1
SCHEMBL101818 0.83 CYP1A2 (0.50) KCNH2GRM5CYP1A2
SCHEMBL102936 0.83 GRM5 (0.42) KCNH2GRM5CYP1A2
SCHEMBL104758 0.82 GRM5 (0.44) KCNH2GRM5CYP1A2
SCHEMBL101956 0.81 GRM5 (0.43) KCNH2GRM5CYP1A2
SCHEMBL103774 0.81 CYP1A2 (0.44) KCNH2GRM5CYP1A2

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-0886754-A1 NON-COMPETITIVE IMMUNOASSAY WITH BLOCKING OF UNOCCUPIED SPECIFIC BINDING SITES ON SOLID PHASE WALLAC OY (FI) 1998-12-30 — — EP disclosed
WO-1997029373-A1 NON-COMPETITIVE IMMUNOASSAY WITH BLOCKING OF UNOCCUPIED SPECIFIC BINDING SITES ON SOLID PHASE WALLAC OY (FI) 1997-08-14 — — WO disclosed