SCHEMBL7435314

SCHEMBL7435314

CCCN(CCC)[C@@H]1CCc2c(ccc3[nH]ccc23)[C@@H]1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.56
DRD3 P35462 4/20 0.56
DRD4 P21917 3/20 0.56
HTR1A P08908 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
TSHR P16473 1/20 0.56
HTR5A P47898 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR1D P28221 10/20 0.55
HTR1B P28222 6/20 0.55
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL7439930 1.00 DRD2 (0.56) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7439927 1.00 DRD2 (0.56) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7450390 0.75 HTR1B (0.60) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7450379 0.75 HTR1B (0.60) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7450383 0.75 HTR1B (0.60) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7434651 0.74 HTR1D (0.83) DRD2HTR1DHTR1B
SCHEMBL7447452 0.74 DRD2 (0.55) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7447457 0.74 DRD2 (0.55) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL9307961 0.74 DRD2 (0.68) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL9309477 0.74 DRD2 (0.68) DRD2DRD3DRD4HTR1AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002100396-A1 COMBINATION OF A PTPase INHIBITOR AND A THIAZOLIDINEDIONE AGENT WYETH (US) 2002-12-19 WO disclosed
WO-2002100398-A1 COMBINATION OF A PTPASE INHIBITOR AND AN ACE INHIBITOR WYETH (US) 2002-12-19 WO disclosed
WO-2002100397-A1 COMBINATION OF A PTPase INHIBITOR AND AN ANTILIPEMIC AGENT WYETH (US) 2002-12-19 WO disclosed
WO-2002098410-A1 COMBINATION OF A PTPASE INHIBITOR AND A SULFONYLUREA AGENT WYETH (US) 2002-12-12 WO disclosed
WO-2002098409-A1 COMBINATION THERAPY FOR TYPE II DIABETES OR SYNDROME X WYETH (US) 2002-12-12 WO disclosed
EP-0690843-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-01-10 EP disclosed