SCHEMBL7438442

SCHEMBL7438442

CCCN(CC1CC1)C1Cc2cc3[nH]cc(C(=O)CC)c3cc2C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
DRD2 P14416 3/20 0.46
HTR1D P28221 8/20 0.45
HTR1B P28222 6/20 0.43
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
SCHEMBL7445238 0.91 HTR1A (0.50) HTR1ADRD2HTR1DHTR1BFYN
SCHEMBL7445106 0.86 HTR1D (0.57) HTR1ADRD2HTR1DHTR1BFYN
SCHEMBL7438350 0.80 HTR1D (0.47) HTR1ADRD2HTR1DHTR1BFYN
SCHEMBL7203091 0.78 HTR1A (0.69) HTR1ADRD2HTR1DHTR1B
SCHEMBL7439655 0.75 HTR1A (0.48) HTR1ADRD2HTR1DHTR1BFYN
SCHEMBL7441326 0.74 HTR1D (0.58) HTR1ADRD2HTR1DHTR1BFYN
SCHEMBL7443429 0.70 HTR1D (0.53) HTR1AHTR1DHTR1BFYN
SCHEMBL7208944 0.68 HTR1A (0.81) HTR1ADRD2HTR1DHTR1B
SCHEMBL7441439 0.68 HTR1D (0.69) HTR1ADRD2HTR1DHTR1B
SCHEMBL7444866 0.68 HTR1A (0.41) HTR1ADRD2HTR1DHTR1B

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