SCHEMBL5520186

SCHEMBL5520186

c1ccc(NC2CCc3c([nH]c4ccccc34)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RB1 P06400 11/20 0.67
NR2E1 Q9Y466 2/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTR5A P47898 1/20 0.44
NISCH Q9Y2I1 1/20 0.44

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
SCHEMBL23875579 0.89 NR2E1 (0.58) RB1NR2E1HTR2AHTR2C
SCHEMBL11283856 0.82 RB1 (0.70) RB1NR2E1DRD2DRD1DRD5
Hydrochloric Acid SCHEMBL11281142 0.81 RB1 (0.68) RB1NR2E1DRD2DRD1DRD5
SCHEMBL11276509 0.81 RB1 (0.65) RB1NR2E1DRD2DRD1DRD5
SCHEMBL11286535 0.79 RB1 (0.69) RB1NR2E1DRD2DRD1DRD5
Hydrochloric Acid SCHEMBL11271931 0.78 RB1 (0.70) RB1NR2E1DRD2DRD1DRD5
SCHEMBL8579183 0.77 RB1 (0.63) RB1NR2E1DRD2DRD1DRD5
SCHEMBL11284150 0.77 RB1 (0.64) RB1KDM4E
SCHEMBL4905673 0.75 NR2E1 (0.79) RB1NR2E1DRD2DRD1DRD5
SCHEMBL6533665 0.75 NR2E1 (0.79) RB1NR2E1DRD2DRD1DRD5

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
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP disclosed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO disclosed