SCHEMBL4374344

SCHEMBL4374344

Cn1cc(C2CN(CCF)C2)c2ccc(-n3cnc(-c4ccc(Cl)cc4)cc3=O)cc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.39
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
AVPR1B P47901 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL13653419 0.77 MCHR1 (0.55) MCHR1
SCHEMBL4237052 0.69 MCHR1 (0.38) MCHR1
SCHEMBL13653331 0.68 MCHR1 (0.55) MCHR1
SCHEMBL13622711 0.67 MCHR1 (0.41) MCHR1
SCHEMBL4062804 0.67 MCHR1 (0.49) MCHR1DRD2SLC6A4
SCHEMBL4565591 0.67 KCNH2 (0.41) MCHR1SLC6A4F10
SCHEMBL4231766 0.65 MCHR1 (0.51) MCHR1
SCHEMBL13622864 0.64 MCHR1 (0.58) MCHR1
SCHEMBL4238507 0.64 MCHR1 (0.58) MCHR1
SCHEMBL12059313 0.60 MCHR1 (0.68) MCHR1

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
WO-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO claimed
WO-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed