SCHEMBL7415569

SCHEMBL7415569

CC(=O)NC1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 1/20 0.45
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CHEK1 O14757 1/20 0.40
ABL1 P00519 1/20 0.40
MET P08581 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
LTK P29376 1/20 0.40
MAPK8 P45983 1/20 0.40
CDK8 P49336 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
NEK2 P51955 1/20 0.40
ACVR1 Q04771 1/20 0.40
MAP4K2 Q12851 1/20 0.40
PRKAA1 Q13131 1/20 0.40
MAPK14 Q16539 1/20 0.40
CAMK1D Q8IU85 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
SCHEMBL7411920 0.84 HTR1A (0.46) CGASHTR1AHTR1DHTR1BCHEK1
SCHEMBL7415593 0.81 MTNR1A (0.42) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL7406537 0.81 CGAS (0.42) CGASHTR1AHTR1DHTR1BCHEK1
SCHEMBL7408004 0.79 APOL1 (0.43) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL7412968 0.77 AR (0.45) CGASHTR1BCHEK1ABL1MET
SCHEMBL14623596 0.77 HTR1B (0.41) CGASHTR1AHTR1DHTR1BMTNR1A
SCHEMBL1881308 0.75 MTNR1A (0.40) CGASHTR1AHTR1DHTR1BMTNR1A
SCHEMBL7409813 0.74 MTNR1A (0.47) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL7411747 0.74 CGAS (0.41) CGASHTR1AHTR1DHTR1BAR
SCHEMBL7406266 0.73 NR2E1 (0.55) HTR1AHTR1DHTR1BMTNR1AMTNR1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US claimed
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