SCHEMBL7703823

SCHEMBL7703823

Nc1nccc2oc(CNC(=O)C3CCN3C3CCCCC3N(CC=O)CC(=O)O)cc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.32
PRSS1 P07477 1/20 0.32
F11 P03951 3/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL7703828 1.00 F2 (0.32) F2PRSS1F11MTNR1AMTNR1B
SCHEMBL7703834 0.81 F2 (0.33) F2PRSS1F11MTNR1AMTNR1B
SCHEMBL7704896 0.72 ALDH1A1 (0.38) F2PRSS1F11
SCHEMBL6436292 0.71 F2 (0.44) F2PRSS1F11
SCHEMBL6436284 0.71 F2 (0.44) F2PRSS1F11
SCHEMBL7702468 0.69 ALDH1A1 (0.41) F2PRSS1F11
SCHEMBL6439144 0.69 F2 (0.48) F2PRSS1F11
SCHEMBL6439145 0.69 F2 (0.48) F2PRSS1F11
SCHEMBL6435588 0.68 F2 (0.39) F2PRSS1F11
SCHEMBL6435578 0.68 F2 (0.39) F2PRSS1F11

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
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed