SCHEMBL1728997

SCHEMBL1728997

CNC(=O)CN(CCN1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
DRD4 P21917 8/20 0.42
MGLL Q99685 2/20 0.42
HTR1A P08908 4/20 0.41
HTR2A P28223 4/20 0.41
DRD3 P35462 4/20 0.41
SLC6A4 P31645 2/20 0.41
RAB9A P51151 2/20 0.41
HTR2C P28335 3/20 0.41
HTR7 P34969 3/20 0.41
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
WNT3A P56704 1/20 0.39
CYP11B2 P19099 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL1729043 0.89 EGLN1 (0.41) DRD4HTR1AHTR2ADRD3SLC6A4
SCHEMBL1729085 0.88 RET (0.41) DRD4HTR1AHTR2ADRD3SLC6A4
SCHEMBL1729147 0.87 MGLL (0.43) DRD2DRD4MGLLHTR1AHTR2A
SCHEMBL1728057 0.86 MCHR1 (0.42) DRD4HTR1AHTR2ADRD3SLC6A4
SCHEMBL1727560 0.85 KCNH2 (0.42) MGLLEGLN1
SCHEMBL1730213 0.83 DRD4 (0.47) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL1727691 0.83 CNR1 (0.41) DRD2DRD4HTR1AHTR2ADRD3
SCHEMBL1728914 0.82 MCHR1 (0.44) DRD4HTR1AHTR2ADRD3SLC6A4
SCHEMBL1729203 0.81 GRIN1 (0.42) DRD4MGLLHTR1AHTR2ADRD3
SCHEMBL1727880 0.77 CNR2 (0.50) DRD2DRD4MGLLHTR1AHTR2A

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