SCHEMBL7334134

SCHEMBL7334134

CN(C)CCc1c[nH]c2ccc(-n3ccc(=O)cc3)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.70
HTR1B P28222 5/20 0.70
HTR1A P08908 8/20 0.60
HTR2C P28335 6/20 0.60
HTR5A P47898 4/20 0.57
SLC6A4 P31645 6/20 0.56
HTR2A P28223 4/20 0.56
MPO P05164 2/20 0.56
HTR7 P34969 3/20 0.54
HTR6 P50406 3/20 0.54
HTR2B P41595 3/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR1E P28566 2/20 0.54
HTR1F P30939 2/20 0.54
HTR3A P46098 2/20 0.54
HTR4 Q13639 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL7333387 0.83 HTR1D (0.54) HTR1DHTR1BHTR1AHTR2CHTR5A
SCHEMBL6943364 0.82 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2CHTR5A
SCHEMBL27461445 0.77 CSNK2A1 (0.55) HTR1DHTR1BHTR1ASLC6A4MPO
SCHEMBL6945185 0.76 HTR1D (0.64) HTR1DHTR1BHTR1AHTR2CSLC6A4
SCHEMBL8784710 0.75 HTR1A (1.00) HTR1DHTR1BHTR1AHTR2CHTR5A
SCHEMBL8784308 0.74 HTR1A (0.78) HTR1DHTR1BHTR1AHTR2CHTR5A
SCHEMBL4055413 0.74 HTR1A (0.70) HTR1DHTR1BHTR1AHTR2CHTR5A
SCHEMBL29633081 0.74 HTR1A (0.70) HTR1DHTR1BHTR1AHTR2CHTR5A
SCHEMBL8783731 0.73 HTR1A (1.00) HTR1DHTR1BHTR1AHTR2CHTR5A
SCHEMBL8806762 0.73 HTR5A (1.00) HTR1DHTR1BHTR1AHTR2CHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed