SCHEMBL7214446

SCHEMBL7214446

CC1CN(C[CH]C(c2ccncc2)c2ccc(F)cc2)CC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
SLC6A3 Q01959 1/20 0.34
MAPK1 P28482 1/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PRCP P42785 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7216865 0.79 ACHE (0.43) SLC6A3MAPK1MEN1KMT2ANPSR1
SCHEMBL7216927 0.78 KDM4E (0.49) SMN1; SMN2KDM4ESLC6A3MAPK1ALDH1A1
SCHEMBL7215357 0.77 PRCP (0.40) SLC6A3MEN1KMT2ANPSR1PRCP
SCHEMBL7220444 0.76 PRCP (0.41) SLC6A3NPSR1PRCP
SCHEMBL7214547 0.71 MAOB (0.39) SLC6A3MEN1KMT2ANPSR1PRCP
SCHEMBL7220570 0.69 KCNH2 (0.37) MAPK1ALDH1A1MEN1KMT2APOLB
SCHEMBL7216749 0.69 LOXL2 (0.38) SLC6A3
SCHEMBL7216729 0.69 ACHE (0.48) SLC6A3NPSR1PRCP
SCHEMBL7220263 0.68 QPCT (0.37)
SCHEMBL7220239 0.68 ACHE (0.52) KDM4ESLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed