SCHEMBL7409147

SCHEMBL7409147

CNc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.65
BAZ2B Q9UIF8 1/20 0.48
HTR1B P28222 9/20 0.45
HTR1D P28221 7/20 0.45
HTR1A P08908 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR1E P28566 1/20 0.40
HTR7 P34969 1/20 0.40
OPRM1 P35372 1/20 0.40
TMEM97 Q5BJF2 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
SCHEMBL7415658 0.85 HTR1F (0.63) HTR1FBAZ2BHTR1BHTR1DHTR1A
SCHEMBL7656895 0.85 HTR1F (0.66) HTR1FBAZ2BHTR1BHTR1DHTR1A
SCHEMBL7408960 0.84 HTR1F (0.59) HTR1FHTR1BHTR1DHTR1AKMT2A
SCHEMBL11334169 0.84 HTR1F (0.74) HTR1FBAZ2BHTR1BHTR1DHTR1A
SCHEMBL7403681 0.83 HTR1F (0.56) HTR1FBAZ2BHTR1BHTR1DKMT2A
SCHEMBL7666163 0.83 HTR1F (0.71) HTR1FBAZ2BHTR1BHTR1DHTR1A
SCHEMBL7663867 0.83 HTR1F (0.71) HTR1FHTR1BHTR1DHTR1AKMT2A
SCHEMBL7407071 0.83 HTR1F (0.71) HTR1FBAZ2BHTR1BHTR1DHTR1A
SCHEMBL12129620 0.82 HTR1F (0.56) HTR1FHTR1BHTR1DHTR1AKMT2A
Bromide SCHEMBL7666990 0.82 HTR1F (0.70) HTR1FHTR1BHTR1DHTR1AKMT2A

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
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed