SCHEMBL883977

SCHEMBL883977

CCOC(=O)[N]C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 2/20 0.33
OPRM1 P35372 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL7470478 0.86
SCHEMBL4759896 0.83 ALDH1A1 (0.40) ALDH1A1TSHRLMNAGNAI3GNAO1
SCHEMBL7476610 0.82 ALDH1A1 (0.40) NOS3NOS2ALDH1A1TSHRALOX15
SCHEMBL8396639 0.82 ALDH1A1 (0.37) MAPTNOS3NOS2ALDH1A1ALOX15
SCHEMBL8393516 0.81 ALDH1A1 (0.42) MAPTNOS3NOS2ALDH1A1TSHR
SCHEMBL7476407 0.81 ALDH1A1 (0.42) MAPTNOS3NOS2ALDH1A1TSHR
SCHEMBL884049 0.74 GABRP (0.33) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL3825295 0.74 ALDH1A1 (0.38) MAPTPKMALDH1A1TSHRLMNA
Ethyl Isonipecotate SCHEMBL27886 0.71 MAPT (0.51) MAPTPKMALDH1A1GABRPGABRD
Ethyl Isonipecotate SCHEMBL6439825 0.71 MAPT (0.51) MAPTPKMALDH1A1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027119-A2 ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-02-25 EP claimed
WO-2007136680-A2 3-PYRAZ0LYL-BENZAMIDE-4-ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-1218384-A4 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-11-20 EP claimed
EP-1218384-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP claimed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed
EP-2027119-A2 ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-02-25 EP disclosed
WO-2007136680-A2 3-PYRAZ0LYL-BENZAMIDE-4-ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed