SCHEMBL6652308

SCHEMBL6652308

O=C(NC1CN2CC[C@H]1C2)c1cccc(Oc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.54
HTR3A P46098 3/20 0.54
TSHR P16473 2/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
ALOX15 P16050 1/20 0.54
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.47
GRM5 P41594 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6305621 0.93 CHRNA7 (0.59) CHRNA7HTR3ATSHRHTR3EHTR3B
SCHEMBL6650550 0.93 CHRNA7 (0.59) CHRNA7HTR3ATSHRHTR3EHTR3B
SCHEMBL6310062 0.90 NPC1 (0.62) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6682650 0.90 CHRNA7 (0.62) CHRNA7HTR3ATSHRHTR3EHTR3B
SCHEMBL373092 0.87 CHRNA7 (0.67) CHRNA7HTR3ATSHRHTR3EHTR3B
SCHEMBL373008 0.84 NPC1 (0.63) CHRNA7HTR3ATSHRHTR3EHTR3B
SCHEMBL7278577 0.84 CHRNA7 (0.71) CHRNA7HTR3ATSHRHTR3EHTR3B
SCHEMBL7293857 0.84 CHRNA7 (0.71) CHRNA7HTR3ATSHRHTR3EHTR3B
SCHEMBL7290441 0.84 CHRNA7 (0.71) CHRNA7HTR3ATSHRHTR3EHTR3B
SCHEMBL6310103 0.83 CHRNA7 (0.49) CHRNA7HTR3ATSHRHTR3EHTR3B

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-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed