SCHEMBL5548647

SCHEMBL5548647

O=C(NCC1CCc2ccccc2N1CC1CCCCC1)Nc1cccc2c1cnn2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.41
MTNR1B P49286 1/20 0.41
EPHX1 P07099 1/20 0.37
TRPV1 Q8NER1 6/20 0.37
CCKBR P32239 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1979504 0.92 MTNR1A (0.41) MTNR1AMTNR1BTRPV1
SCHEMBL27742034 0.89 CCKBR (0.42) MTNR1AMTNR1BEPHX1TRPV1CCKBR
SCHEMBL5553170 0.86 MTNR1A (0.58) MTNR1AMTNR1BTRPV1CCKBR
SCHEMBL27742030 0.86 MTNR1A (0.41) MTNR1AMTNR1BTRPV1CCKBR
SCHEMBL5547623 0.85 MTNR1A (0.54) MTNR1AMTNR1BTRPV1
SCHEMBL1980371 0.82 TRPV1 (0.51) TRPV1
SCHEMBL16495004 0.81 MTNR1A (0.47) MTNR1AMTNR1BTRPV1
Acetic Acid SCHEMBL27742031 0.81 TRPV1 (0.49) MTNR1ATRPV1
SCHEMBL1981234 0.81 MTNR1A (0.56) MTNR1AMTNR1BTRPV1
SCHEMBL27818704 0.80 MTNR1A (0.44) MTNR1AMTNR1BTRPV1CCKBR

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-1844038-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-17 EP claimed
WO-2006065484-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-22 WO claimed