SCHEMBL11419087

SCHEMBL11419087

CN(C)C1CCc2[nH]c3cc(F)c(O)cc3c2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.53
DRD2 P14416 2/20 0.41
DRD1 P21728 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1B P28222 6/20 0.38
HTR1D P28221 5/20 0.38
KMT2A Q03164 2/20 0.38
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
HTR1A P08908 5/20 0.35
HTR7 P34969 2/20 0.34

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
SCHEMBL11418721 0.89 HTR1F (0.52) HTR1FDRD2DRD1CHRM3HTR1B
Hydrochloric Acid SCHEMBL11432883 0.88 HTR1F (0.51) HTR1FDRD2DRD1CHRM3HTR1B
SCHEMBL7413233 0.83 HTR1F (0.52) HTR1FHTR1BHTR1DKMT2AMEN1
Hydrochloric Acid SCHEMBL7408517 0.82 HTR1F (0.51) HTR1FHTR1BHTR1DKMT2AMEN1
Hydrochloric Acid SCHEMBL7410143 0.82 HTR1F (0.48) HTR1FDRD2DRD1CHRM3HTR1B
SCHEMBL7404381 0.80 HTR1F (0.50) HTR1FDRD2DRD1CHRM3HTR1B
SCHEMBL7407128 0.79 HTR1F (0.67) HTR1FDRD1HTR1BHTR1DKMT2A
SCHEMBL6963427 0.79 HTR1F (0.58) HTR1FDRD2DRD1CHRM3HTR1B
SCHEMBL7408494 0.79 HTR1F (0.58) HTR1FDRD1HTR1BHTR1DHTR1A
SCHEMBL7407846 0.79 DRD2 (0.50) HTR1FDRD2DRD1CHRM3HTR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224335-A INOTROPIC AGENTS USED FOR TREATING CONGESTIVE HEART FAILURE IN MAMMALS STERLING DRUG INC. (US) 1980-09-23 US claimed
US-4224335-A INOTROPIC AGENTS USED FOR TREATING CONGESTIVE HEART FAILURE IN MAMMALS STERLING DRUG INC. (US) 1980-09-23 US disclosed