SCHEMBL8539238

SCHEMBL8539238

O=C(NCCN1CCCC1)Oc1ccc2[nH]cc(CCCCCl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.51
HTR2A P28223 2/20 0.51
HTR1A P08908 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
MPO P05164 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47

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
SCHEMBL8540082 0.99 HTR2A (0.53) FAAHHTR2AHTR1ATRPV1MPO
SCHEMBL8545764 0.84 ADRA2A (0.71)
SCHEMBL9265034 0.83 PARP1 (0.51) MPO
SCHEMBL8543733 0.83 ADRA2A (0.70)
SCHEMBL9263285 0.83 PARP1 (0.52) MPO
SCHEMBL8540815 0.82 FAAH (0.59) FAAHHTR1ATRPV1MPOMTNR1A
SCHEMBL8544087 0.80 HTR1D (0.50) HTR2AHTR1A
SCHEMBL8537746 0.80 FAAH (0.54) FAAHHTR1ATRPV1MTNR1AMTNR1B
SCHEMBL9698973 0.79 FAAH (0.57) FAAHHTR2ATRPV1MTNR1AMTNR1B
SCHEMBL9828299 0.77 HTR1D (0.67) HTR1AMPOMTNR1AMTNR1B

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