SCHEMBL4737580

SCHEMBL4737580

O=C(c1cccnc1)N(Cc1ccc(Cl)nc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.51
MDM2 Q00987 1/20 0.49
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
MTNR1A P48039 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
ADORA2A P29274 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4738735 0.99 AGER (0.49) AGERMDM2ALDH1A1L3MBTL1MEN1
SCHEMBL4738946 0.87 ALDH1A1 (0.43) AGERMDM2ALDH1A1L3MBTL1MEN1
SCHEMBL4739773 0.80 SLC6A9 (0.45) AGERALDH1A1L3MBTL1KMT2AMTNR1A
SCHEMBL4740808 0.80 SLC6A9 (0.44) AGERALDH1A1L3MBTL1MTNR1ANPSR1
SCHEMBL4737202 0.79 SLC6A9 (0.43) AGERALDH1A1L3MBTL1KMT2AMTNR1A
SCHEMBL4784363 0.78 SMO (0.43) AGERALDH1A1L3MBTL1MTNR1ANPSR1
SCHEMBL27978853 0.78 L3MBTL1 (0.59) ALDH1A1L3MBTL1NPSR1ADORA2AGAA
SCHEMBL5260135 0.76 TSHR (0.44) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL2584500 0.76 TRPA1 (0.46) AGERALDH1A1MEN1KMT2AMTNR1A
SCHEMBL6169489 0.74 AGER (0.47) AGERALDH1A1MTNR1ACHRM2CHRM3

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed