SCHEMBL7413233

SCHEMBL7413233

Cc1cc2[nH]c3c(c2cc1F)CC(N(C)C)CC3

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.52
HTR1D P28221 4/20 0.39
HTR1B P28222 4/20 0.39
KMT2A Q03164 2/20 0.36
HTR1A P08908 5/20 0.35
HTR7 P34969 3/20 0.35
HTR6 P50406 5/20 0.34
MEN1 O00255 1/20 0.34
IDO1 P14902 1/20 0.33

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
Hydrochloric Acid SCHEMBL7408517 0.99 HTR1F (0.51) HTR1FHTR1DHTR1BKMT2AHTR1A
SCHEMBL7404381 0.89 HTR1F (0.50) HTR1FHTR1DHTR1BKMT2AHTR1A
SCHEMBL11419087 0.83 HTR1F (0.53) HTR1FHTR1DHTR1BKMT2AHTR1A
Hydrochloric Acid SCHEMBL7410143 0.81 HTR1F (0.48) HTR1FHTR1DHTR1BKMT2AHTR1A
SCHEMBL7407128 0.80 HTR1F (0.67) HTR1FHTR1DHTR1BKMT2AHTR1A
SCHEMBL7408494 0.80 HTR1F (0.58) HTR1FHTR1DHTR1BHTR1AHTR7
SCHEMBL11418721 0.80 HTR1F (0.52) HTR1FHTR1DHTR1BKMT2AHTR1A
SCHEMBL13934448 0.79 TP53 (0.51) HTR1FHTR1DHTR1BKMT2AHTR1A
SCHEMBL7403681 0.78 HTR1F (0.56) HTR1FHTR1DHTR1BKMT2A
SCHEMBL7407453 0.78 HTR1F (0.48) HTR1FHTR1DHTR1BHTR6

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