SCHEMBL7410316

SCHEMBL7410316

CN(C)C1CCc2[nH]c3c(C(F)(F)F)cc(Cl)cc3c2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.40
HTR6 P50406 8/20 0.38
HTR1A P08908 7/20 0.37
HTR7 P34969 7/20 0.37
HTR1D P28221 3/20 0.34
HTR1B P28222 3/20 0.34
SLC6A4 P31645 1/20 0.32

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
SCHEMBL7411747 0.85 CGAS (0.41) HTR1FHTR6HTR1AHTR7HTR1D
SCHEMBL7411581 0.76 HTR1F (0.36) HTR1FHTR6HTR1AHTR7HTR1D
Flucindole SCHEMBL121717 0.74 HTR1F (0.47) HTR1FHTR6HTR1AHTR7HTR1D
SCHEMBL7417626 0.74 HTR1F (0.55) HTR1FHTR6HTR1DHTR1BSLC6A4
SCHEMBL7417044 0.73 HTR1F (0.41) HTR1FHTR6HTR1AHTR7HTR1D
Hydrochloric Acid SCHEMBL7411215 0.72 HTR1F (0.40) HTR1FHTR6HTR1AHTR7HTR1D
SCHEMBL7413012 0.72 TAAR1 (0.50) HTR1FHTR6HTR1AHTR7HTR1D
Hydrochloric Acid SCHEMBL7409163 0.71 HTR1F (0.40) HTR1FHTR6HTR1DHTR1BSLC6A4
SCHEMBL7415602 0.69 RBP4 (0.34)
SCHEMBL7413545 0.69 HTR1A (0.47) HTR1FHTR6HTR1AHTR7HTR1D

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