SCHEMBL8537746

SCHEMBL8537746

CCN(CC)CCNC(=O)Oc1ccc2[nH]cc(CCCCCl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
HTR1A P08908 2/20 0.52
TRPV1 Q8NER1 3/20 0.52
HTR1D P28221 3/20 0.51
HTR1B P28222 1/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL8540815 0.85 FAAH (0.59) FAAHHTR1ATRPV1HTR1DHTR1B
SCHEMBL9268126 0.83 KMT2A (0.49) HTR1D
SCHEMBL8544428 0.80 ADRA2A (0.67)
SCHEMBL8539238 0.80 FAAH (0.51) FAAHHTR1ATRPV1MTNR1AMTNR1B
SCHEMBL9828299 0.80 HTR1D (0.67) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL8540082 0.79 HTR2A (0.53) FAAHHTR1ATRPV1MTNR1AMTNR1B
SCHEMBL9698973 0.79 FAAH (0.57) FAAHTRPV1MTNR1AMTNR1BTRPM8
SCHEMBL8557152 0.79 MTNR1A (0.56) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL9697617 0.78 HTR1D (0.57) HTR1AHTR1DHTR1BMTNR1AMTNR1B
SCHEMBL23083090 0.77 HTR1D (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496222-B1 Indole derivatives MERCK PATENT GMBH (DE) 1998-09-09 EP disclosed
EP-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed