SCHEMBL7439653

SCHEMBL7439653

CCCN(CCC)C1Cc2cc3[nH]cc(-c4ccccc4C=O)c3cc2C1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.46
HTR1D P28221 8/20 0.46
HTR1A P08908 3/20 0.46
DRD3 P35462 1/20 0.45
FYN P06241 1/20 0.40

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
SCHEMBL7443429 0.84 HTR1D (0.53) HTR1BHTR1DHTR1AFYN
SCHEMBL7445758 0.77 HTR1D (0.62) HTR1BHTR1DHTR1AFYN
SCHEMBL7439655 0.73 HTR1A (0.48) HTR1BHTR1DHTR1ADRD3FYN
SCHEMBL7445238 0.71 HTR1A (0.50) HTR1BHTR1DHTR1AFYN
SCHEMBL8890741 0.70 HTR1A (0.67) HTR1BHTR1DHTR1A
SCHEMBL8730331 0.66 IMPDH2 (0.65) FYN
SCHEMBL8694462 0.66 DRD3 (0.58) HTR1ADRD3FYN
SCHEMBL8689188 0.66 ALDH1A1 (0.73) FYN
SCHEMBL8688812 0.66 DRD3 (1.00) HTR1ADRD3FYN
SCHEMBL7458753 0.66 FYN (0.58) HTR1ADRD3FYN

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