SCHEMBL5553170

SCHEMBL5553170

O=C(NCC1CCc2ccccc2N1CCc1ccccc1)Nc1cccc2c1cnn2C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.58
MTNR1B P49286 1/20 0.45
TRPV1 Q8NER1 6/20 0.40
CCKBR P32239 1/20 0.37

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
SCHEMBL5547623 0.95 MTNR1A (0.54) MTNR1AMTNR1BTRPV1
SCHEMBL1981918 0.93 MTNR1A (0.57) MTNR1AMTNR1BTRPV1
SCHEMBL27762610 0.89 MTNR1A (0.56) MTNR1AMTNR1BTRPV1CCKBR
SCHEMBL1981078 0.88 MTNR1A (0.54) MTNR1AMTNR1BTRPV1
SCHEMBL27762605 0.87 MTNR1A (0.58) MTNR1AMTNR1BTRPV1
SCHEMBL5548647 0.86 MTNR1A (0.41) MTNR1AMTNR1BTRPV1CCKBR
SCHEMBL16495004 0.85 MTNR1A (0.47) MTNR1AMTNR1BTRPV1
SCHEMBL1981234 0.85 MTNR1A (0.56) MTNR1AMTNR1BTRPV1
SCHEMBL27742049 0.84 MTNR1A (0.52) MTNR1AMTNR1BTRPV1CCKBR
SCHEMBL1982656 0.84 MTNR1A (0.55) MTNR1AMTNR1BTRPV1

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