SCHEMBL8228997

SCHEMBL8228997

N#Cc1cccc(-c2csc3nc(C45CCCC6CC(CC6C4)C5)cn23)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.34
USP30 Q70CQ3 4/20 0.33
UCHL1 P09936 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
PDE4D Q08499 2/20 0.31
ALDH1A3 P47895 1/20 0.31
SCD O00767 1/20 0.30
SCD5 Q86SK9 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
SCHEMBL5328979 0.87 FAAH (0.41) FAAHUSP30UCHL1PDE4DALDH1A3
Hydrochloric Acid SCHEMBL5327767 0.86 FAAH (0.40) FAAHUSP30UCHL1PDE4DALDH1A3
SCHEMBL8227245 0.78 SMN1; SMN2 (0.32)
SCHEMBL8227701 0.78 CA12 (0.33)
SCHEMBL5333174 0.77 ALDH1A1 (0.37)
Hydrochloric Acid SCHEMBL5324966 0.76 ALDH1A1 (0.36)
SCHEMBL8222376 0.75 SMN1; SMN2 (0.35)
SCHEMBL8230910 0.75 ALDH1A1 (0.36) FAAHUSP30UCHL1
SCHEMBL8228991 0.75 JAK2 (0.33) UCHL1
SCHEMBL8221773 0.73 PIM1 (0.35) USP30

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-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 WO disclosed