SCHEMBL7413544

SCHEMBL7413544

Cc1cc(C)c2c3c([nH]c2c1)CCC(N(C)C)C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.41
HTR1D P28221 6/20 0.37
HTR1B P28222 5/20 0.37
DRD2 P14416 2/20 0.35
DRD1 P21728 1/20 0.35
CHRM3 P20309 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7409139 0.86 HTR1F (0.40) HTR1FHTR1DHTR1BDRD2CHRM3
SCHEMBL7402841 0.86 HTR1F (0.42) HTR1FHTR1DHTR1BDRD2DRD1
SCHEMBL7410925 0.81 CHRM3 (0.43) HTR1FHTR1DHTR1BDRD2CHRM3
SCHEMBL7407453 0.78 HTR1F (0.48) HTR1FHTR1DHTR1BCHRM3
SCHEMBL7417044 0.78 HTR1F (0.41) HTR1FHTR1DHTR1BDRD2DRD1
SCHEMBL7404381 0.77 HTR1F (0.50) HTR1FHTR1DHTR1BDRD2DRD1
Hydrochloric Acid SCHEMBL7411215 0.77 HTR1F (0.40) HTR1FHTR1DHTR1BDRD2DRD1
SCHEMBL7414253 0.77 HTR1A (0.42) HTR1FHTR1DHTR1BCHRM3CHRM2
SCHEMBL7403681 0.75 HTR1F (0.56) HTR1FHTR1DHTR1BGRIN2DGRIN3B
SCHEMBL6823396 0.74 EGFR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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