SCHEMBL7417044

SCHEMBL7417044

Cc1cc(C)c2[nH]c3c(c2c1)CC(N(C)C)CC3

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.41
MAPT P10636 1/20 0.40
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
DRD2 P14416 2/20 0.35
DRD1 P21728 1/20 0.35
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR6 P50406 4/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
SLC6A4 P31645 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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 SCHEMBL7411215 0.99 HTR1F (0.40) HTR1FMAPTHTR1DHTR1BDRD2
SCHEMBL7408892 0.81 CHRM3 (0.43) HTR1FHTR1DHTR1BDRD2CHRM3
SCHEMBL7403681 0.78 HTR1F (0.56) HTR1FHTR1DHTR1BSLC6A4
SCHEMBL7413544 0.78 HTR1F (0.41) HTR1FMAPTHTR1DHTR1BDRD2
SCHEMBL7404381 0.77 HTR1F (0.50) HTR1FHTR1DHTR1BDRD2DRD1
SCHEMBL7411747 0.77 CGAS (0.41) HTR1FHTR1DHTR1BHTR6HTR1A
Flucindole SCHEMBL121717 0.77 HTR1F (0.47) HTR1FHTR1DHTR1BHTR6HTR1A
Hydrochloric Acid SCHEMBL7409163 0.76 HTR1F (0.40) HTR1FMAPTHTR1DHTR1BDRD2
SCHEMBL7407453 0.75 HTR1F (0.48) HTR1FHTR1DHTR1BCHRM3HTR6
SCHEMBL7413233 0.73 HTR1F (0.52) HTR1FHTR1DHTR1BHTR6HTR1A

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