SCHEMBL7442979

SCHEMBL7442979

CCCN(CCC)C1CCc2c(ccc3[nH]cc(C(=O)C(F)(F)F)c23)C1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.85
HTR1B P28222 12/20 0.85
DRD2 P14416 2/20 0.66
HTR1A P08908 2/20 0.53

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
SCHEMBL8875034 0.88 HTR1D (0.84) HTR1DHTR1BDRD2HTR1A
SCHEMBL7441439 0.87 HTR1D (0.69) HTR1DHTR1BDRD2HTR1A
SCHEMBL9045334 0.80 HTR1D (0.62) HTR1DHTR1BDRD2HTR1A
SCHEMBL7439194 0.78 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL7448912 0.78 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL8124390 0.77 HTR1D (0.83) HTR1DHTR1BDRD2HTR1A
SCHEMBL8822562 0.73 HTR1D (0.66) HTR1DHTR1BDRD2HTR1A
SCHEMBL7434651 0.71 HTR1D (0.83) HTR1DHTR1BDRD2
SCHEMBL7201962 0.71 HTR1A (0.78) HTR1DHTR1BDRD2HTR1A
SCHEMBL7441015 0.71 HTR1D (0.69) HTR1DHTR1BDRD2HTR1A

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
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
EP-0690843-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-01-10 EP disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed