SCHEMBL7448912

SCHEMBL7448912

CCCN(CCC)[C@H]1CCc2c(ccc3[nH]cc(C=O)c23)C1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.84
HTR1B P28222 15/20 0.84
HTR1A P08908 1/20 0.84

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
SCHEMBL7439194 1.00 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL8312369 0.91 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL7449864 0.88 HTR1D (0.87) HTR1DHTR1BHTR1A
SCHEMBL8316699 0.84 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL8312983 0.84 HTR1B (1.00) HTR1DHTR1BHTR1A
SCHEMBL7445849 0.83 HTR1D (0.62) HTR1DHTR1BHTR1A
SCHEMBL8313410 0.82 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL8875034 0.81 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL8124390 0.81 HTR1D (0.83) HTR1DHTR1BHTR1A
SCHEMBL7441439 0.81 HTR1D (0.69) HTR1DHTR1BHTR1A

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 4 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
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