SCHEMBL13422232

SCHEMBL13422232

COc1ccc(C(=O)N2CCC(c3nc(C(=O)NC4CCCc5ccccc54)cs3)CC2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
OXTR P30559 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13422229 0.80 HSD11B1 (0.51) OXTRALDH1A1MAPTTSHR
SCHEMBL13455694 0.77 DHODH (0.44) TAS1R3TAS1R1ALDH1A1MAPTTSHR
SCHEMBL13909775 0.76 HSD11B1 (0.47) OXTRPOLBALDH1A1MAPTTSHR
SCHEMBL13422171 0.76 HSD11B1 (0.47) OXTRMAPTTSHR
SCHEMBL13422231 0.76 NPC1 (0.44) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL29694265 0.75 HTT (0.53) KMT2ATAS1R3TAS1R1ALDH1A1TSHR
SCHEMBL3465075 0.72 TSHR (0.44) KMT2AMEN1TAS1R3TAS1R1POLB
SCHEMBL3465072 0.72 TSHR (0.44) KMT2AMEN1TAS1R3TAS1R1POLB
SCHEMBL17075789 0.72 TSHR (0.43) KMT2ATAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL20542696 0.71 LMNA (0.45) KMT2ATAS1R3TAS1R1POLBALDH1A1

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