SCHEMBL13419963

SCHEMBL13419963

CCCCOC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccccc3)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.51
CHRM3 P20309 9/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL13420661 0.94 P2RY12 (0.45) P2RY12CHRM3PPARG
SCHEMBL13420659 0.94 CHRM3 (0.46) P2RY12CHRM3PPARG
SCHEMBL13420645 0.94 P2RY12 (0.46) P2RY12CHRM3PPARG
SCHEMBL13420655 0.94 CHRM3 (0.45) P2RY12CHRM3PPARG
SCHEMBL13422903 0.92 CHRM3 (0.43) P2RY12CHRM3PPARG
SCHEMBL13420668 0.91 P2RY12 (0.48) P2RY12CHRM3PPARG
SCHEMBL13420647 0.91 CHRM3 (0.49) P2RY12CHRM3PPARG
SCHEMBL13419807 0.91 CHRM3 (0.47) P2RY12CHRM3
SCHEMBL13420671 0.90 CHRM3 (0.49) P2RY12CHRM3PPARG
SCHEMBL13419870 0.88 CHRM3 (0.40) P2RY12CHRM3PPARG

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
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed