SCHEMBL13419600

SCHEMBL13419600

CCCCOC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3C(C)(C)C)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.45
PPARG P37231 1/20 0.42
F2 P00734 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 4/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 1/20 0.38
CCR8 P51685 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
SCHEMBL13421244 0.92 PPARG (0.41) P2RY12PPARGFAAHKDM4EALDH1A1
SCHEMBL13421229 0.89 PPARG (0.39) PPARGFAAHKDM4EALDH1A1CHRM2
SCHEMBL13419963 0.87 P2RY12 (0.51) P2RY12PPARGCHRM3
SCHEMBL13419612 0.87 PPARG (0.40) PPARGFAAHKDM4EALDH1A1CHRM2
SCHEMBL13419966 0.86 FAAH (0.43) P2RY12PPARGKMT2AFAAHCCR8
SCHEMBL13419599 0.86 CCR8 (0.42) P2RY12PPARGTP53ALDH1A1CCR8
SCHEMBL13423057 0.85 GSK3B (0.43) PPARGKDM4ECHRM3
SCHEMBL13419717 0.85 CCR8 (0.48) PPARGCCR8
SCHEMBL13419619 0.85 PIM1 (0.53) P2RY12KMT2AALDH1A1MAPT
SCHEMBL13455716 0.85 EPHX2 (0.42) PPARGFAAHCCR8

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