SCHEMBL7415604

SCHEMBL7415604

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
APOL1 O14791 3/20 0.41
HTR1A P08908 2/20 0.40
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.40
RB1 P06400 1/20 0.37
CFTR P13569 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1E P28566 1/20 0.36
HTR7 P34969 1/20 0.36
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HTR1F P30939 1/20 0.36

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
SCHEMBL1879389 0.89 MTNR1A (0.41) MTNR1AMTNR1BHTR1AHTR1BHTR1D
SCHEMBL7408004 0.87 APOL1 (0.43) MTNR1AMTNR1BAPOL1HTR1AHTR1B
SCHEMBL11344966 0.83 APOL1 (0.38) APOL1HTR1AHTR1BHTR1DDRD2
SCHEMBL1877210 0.83 HTR1A (0.54) MTNR1AMTNR1BHTR1AHTR1BHTR1D
SCHEMBL21754399 0.83 APOL1 (0.40) APOL1HTR1AHTR1BHTR1DCFTR
SCHEMBL1878640 0.81 HTR1B (0.44) MTNR1AMTNR1BHTR1AHTR1BHTR1D
SCHEMBL7408320 0.81 HTR1A (0.46) APOL1HTR1AHTR1BHTR1DCFTR
SCHEMBL7402703 0.81 HTR1A (0.35) APOL1HTR1AHTR1BHTR1DDRD2
SCHEMBL14623596 0.78 HTR1B (0.41) MTNR1AMTNR1BHTR1AHTR1BHTR1D
SCHEMBL7413287 0.78 APOL1 (0.37) APOL1HTR1AHTR1BHTR1DCFTR

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