SCHEMBL9698973

SCHEMBL9698973

O=C(NCc1ccccc1)Oc1ccc2[nH]cc(CCCCCl)c2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.57
MTNR1A P48039 5/20 0.54
MTNR1B P49286 5/20 0.54
TRPV1 Q8NER1 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.52
POLB P06746 1/20 0.50
HTR2A P28223 1/20 0.50
LTA4H P09960 4/20 0.49
PLA2G2A P14555 4/20 0.49

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
SCHEMBL9697617 0.82 HTR1D (0.57) MTNR1AMTNR1B
SCHEMBL9264670 0.82 SNCA (0.58)
SCHEMBL9698228 0.82 ADRA2A (0.59)
SCHEMBL8540815 0.82 FAAH (0.59) FAAHMTNR1AMTNR1BTRPV1POLB
SCHEMBL9828299 0.80 HTR1D (0.67) MTNR1AMTNR1B
SCHEMBL8557152 0.79 MTNR1A (0.56) MTNR1AMTNR1BPOLB
SCHEMBL8537746 0.79 FAAH (0.54) FAAHMTNR1AMTNR1BTRPV1TRPM8
SCHEMBL8538858 0.79 CYP1A2 (0.56) MTNR1AMTNR1B
SCHEMBL8539238 0.79 FAAH (0.51) FAAHMTNR1AMTNR1BTRPV1HTR2A
SCHEMBL8540082 0.78 HTR2A (0.53) FAAHMTNR1AMTNR1BTRPV1HTR2A

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-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed