SCHEMBL7445563

SCHEMBL7445563

CCCN(CCC)C1CCc2c(cc3cc[nH]c3c2Br)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.56
HTR1B P28222 6/20 0.56
DRD2 P14416 6/20 0.47
DRD3 P35462 5/20 0.47
DRD4 P21917 3/20 0.47
HTR1A P08908 3/20 0.47
DRD1 P21728 2/20 0.47
DRD5 P21918 1/20 0.47
HTR7 P34969 1/20 0.47
ADRB2 P07550 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
SCHEMBL7445674 0.85 HTR1D (0.64) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL7437054 0.82 HTR1D (0.60) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL10985541 0.76 HTR1D (0.66) HTR1DHTR1BDRD3HTR1A
SCHEMBL7435180 0.76 HTR1D (0.62) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL7441409 0.75 HTR1D (0.57) HTR1DHTR1BHTR1A
SCHEMBL8126165 0.73 HTR1D (0.64) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8886408 0.72 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7434651 0.72 HTR1D (0.83) HTR1DHTR1BDRD2DRD1
SCHEMBL7441299 0.71 HTR1D (0.53) HTR1DHTR1BDRD2DRD3HTR1A
SCHEMBL7439062 0.71 FYN (0.54) HTR1DHTR1BDRD3HTR1A

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 3 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
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed