SCHEMBL8400880

SCHEMBL8400880

COc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1N1CCN(C)CC1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.79
HTR1B P28222 17/20 0.79
HTR2A P28223 6/20 0.79
HTR1A P08908 15/20 0.61
HTR2C P28335 5/20 0.59
HTR6 P50406 4/20 0.59
HTR7 P34969 2/20 0.59
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL8985970 0.88 HTR1D (0.92) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL7803371 0.88 HTR1D (1.00) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8402123 0.87 HTR1D (0.65) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL7525124 0.85 HTR1D (0.66) HTR1DHTR1BHTR2AHTR1AHTR2C
Hydrochloric Acid SCHEMBL5827584 0.84 HTR1D (0.64) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8179989 0.82 HTR1D (0.58) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8626746 0.81 HTR1D (0.64) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8120074 0.81 HTR1D (0.57) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8122186 0.81 MEN1 (0.60) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8127402 0.81 HTR1D (0.61) HTR1DHTR1BHTR2AHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5905080-A Amide and urea derivatives as 5HT1D receptor antagonists SMITHKLINE BEECHAM, P.L.C. (GB) 1999-05-18 US claimed
EP-0714389-B1 AMIDE AND UREA DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-06-17 EP claimed
EP-0714389-A1 AMIDE AND UREA DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-05 EP claimed
WO-1995006044-A1 AMIDE AND UREA DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-03-02 WO claimed
US-5905080-A Amide and urea derivatives as 5HT1D receptor antagonists SMITHKLINE BEECHAM, P.L.C. (GB) 1999-05-18 US disclosed
EP-0714389-B1 AMIDE AND UREA DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-06-17 EP disclosed
EP-0714389-A1 AMIDE AND UREA DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-05 EP disclosed
WO-1995006044-A1 AMIDE AND UREA DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-03-02 WO disclosed