SCHEMBL8784288

SCHEMBL8784288

CN(C)CCc1c[nH]c2ccc(Cc3ncc[nH]3)cc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.64
HTR1D P28221 2/20 0.64
HTR1B P28222 2/20 0.64
HTR2C P28335 12/20 0.64
HTR2A P28223 2/20 0.58
HTR1E P28566 1/20 0.58
HTR1F P30939 1/20 0.58
HTR7 P34969 1/20 0.58
HTR2B P41595 1/20 0.58
HTR3A P46098 1/20 0.58
HTR5A P47898 1/20 0.58
SLC47A1 Q96FL8 1/20 0.58
MPO P05164 1/20 0.55
SLC6A4 P31645 1/20 0.55

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
SCHEMBL8785561 0.81 HTR1A (0.65) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL5752140 0.81 HTR1A (0.71) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8113317 0.80 HTR1A (0.60) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8868836 0.80 HTR1A (0.71) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL22612481 0.79 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL31574201 0.79 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL8785771 0.78 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2C
SCHEMBL6942950 0.78 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL1121941 0.78 HTR1A (0.76) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL13653014 0.78 HTR1A (0.81) HTR1AHTR1DHTR1BHTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497512-B1 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME (GB) 1997-09-24 EP claimed