SCHEMBL2202933

SCHEMBL2202933

Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)N1CCC(N(C)C2CCOCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
KMT2A Q03164 3/20 0.41
CCR2 P41597 1/20 0.41
ELANE P08246 3/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2202927 1.00 MCHR1 (0.47) MCHR1KMT2ACCR2ELANEMEN1
SCHEMBL2203098 0.89 KMT2A (0.45) MCHR1KMT2ANPSR1
SCHEMBL2203102 0.89 KMT2A (0.45) MCHR1KMT2ANPSR1
SCHEMBL13973770 0.89 KMT2A (0.42) MCHR1KMT2ATSHRHTT
SCHEMBL2200093 0.85 KMT2A (0.48) KMT2AELANEMEN1LMNATSHR
SCHEMBL2201573 0.84 KMT2A (0.43) KMT2AELANEMEN1LMNATSHR
SCHEMBL2204251 0.82 ELANE (0.48) KMT2AELANEMEN1LMNATSHR
SCHEMBL2201732 0.82 MALT1 (0.40) MCHR1KMT2AMEN1LMNAALDH1A1
SCHEMBL2200676 0.82 MALT1 (0.40) MCHR1KMT2AMEN1LMNAALDH1A1
SCHEMBL2200679 0.82 MALT1 (0.40) MCHR1KMT2AMEN1LMNAALDH1A1

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed