SCHEMBL8132500

SCHEMBL8132500

CCCN(CCC)C1CCc2c(ccc3c2NC(=O)C3=O)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.54
DRD1 P21728 2/20 0.54
HTR1D P28221 2/20 0.52
HTR1B P28222 2/20 0.52
HTR1A P08908 8/20 0.51
HTR7 P34969 7/20 0.51
DRD3 P35462 5/20 0.51
DRD4 P21917 3/20 0.51
DRD5 P21918 1/20 0.51
ADRB2 P07550 1/20 0.51

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
SCHEMBL7436956 0.89 DRD3 (0.47) DRD2DRD1HTR1DHTR1BHTR1A
SCHEMBL10972719 0.81 HTR1D (0.57) DRD2DRD1HTR1DHTR1BHTR1A
SCHEMBL7442666 0.81 HTR1D (0.62) DRD2DRD1HTR1DHTR1BHTR1A
SCHEMBL7437400 0.76 FYN (0.43) DRD2DRD1HTR1DHTR1BHTR1A
SCHEMBL7439769 0.75 FYN (0.56) DRD2HTR1DHTR1BHTR1ADRD3
SCHEMBL8887664 0.74 HTR1D (0.66) DRD2HTR1DHTR1BHTR1AHTR7
SCHEMBL7443673 0.73 DRD2 (0.59) DRD2DRD1HTR1DHTR1BHTR1A
SCHEMBL8887147 0.71 HTR1D (0.54) DRD2HTR1DHTR1BHTR1ADRD3
SCHEMBL7297810 0.71 DRD2 (0.56) DRD2DRD1HTR1DHTR1BHTR1A
SCHEMBL7297821 0.71 DRD2 (0.56) DRD2DRD1HTR1DHTR1BHTR1A

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-0690843-B1 Formyl- or cyano- substituted indole derivatives having dopaminergic activity UPJOHN CO (US) 2000-08-30 EP disclosed
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed