SCHEMBL1729537

SCHEMBL1729537

COc1ccc(-c2ccc(N3CCN(CCNC(=O)O)CC3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.55
CD274 Q9NZQ7 2/20 0.48
ACHE P22303 2/20 0.47
FAAH O00519 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
POLB P06746 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1728732 0.89 DRD4 (0.62) DRD4EGLN1
SCHEMBL1727526 0.86 HRH2 (0.47) DRD4ACHEFAAHPPARA
SCHEMBL1729132 0.85 DRD4 (0.52) DRD4EGLN1
SCHEMBL1727732 0.83 CD274 (0.50) DRD4CD274EGLN1
SCHEMBL1728049 0.81 DRD4 (0.51) DRD4ACHEFAAHPOLBLMNA
SCHEMBL31589961 0.79 EGLN1 (0.55) EGLN1LMNASMN1; SMN2
SCHEMBL1729393 0.79 CNR2 (0.56) DRD4EGLN1POLBLMNA
SCHEMBL1728735 0.78 DRD4 (0.49) DRD4
SCHEMBL1729043 0.78 EGLN1 (0.41) DRD4ACHEEGLN1PPARA
SCHEMBL1727895 0.78 EGLN1 (0.43) DRD4EGLN1PPARA

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed