SCHEMBL4082053

SCHEMBL4082053

COc1ccc(Cl)cc1N1CCN(CCC2CCC(N)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
ADRA1D P25100 5/20 0.51
ADRA1A P35348 5/20 0.51
ADRA1B P35368 5/20 0.51
DRD4 P21917 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
DRD3 P35462 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL4082050 0.87 ADRA1D (0.52) DRD2ADRA1DADRA1AADRA1BDRD4
Hydrochloric Acid SCHEMBL3329696 0.84 DRD2 (0.63) DRD2ADRA1DADRA1AADRA1BDRD4
Hydrochloric Acid SCHEMBL3329691 0.84 DRD2 (0.63) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL30855296 0.83 DRD2 (0.66) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL3848845 0.83 DRD2 (0.66) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL3847616 0.83 DRD2 (0.61) DRD2ADRA1BDRD4DRD3ALDH1A1
SCHEMBL3849464 0.82 FFAR4 (0.51) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL7410473 0.80 ALDH1A1 (0.68) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL3853464 0.80 DRD2 (0.60) DRD2DRD4DRD3ALDH1A1
SCHEMBL7549051 0.79 DRD2 (0.65) DRD2ADRA1DADRA1AADRA1BDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473692-B2 Sulfonamide derivatives as D3-receptor ligands RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-01-06 US claimed