SCHEMBL4738735

SCHEMBL4738735

O=C(c1cccnc1)N(Cc1ccc(Cl)nc1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.49
MDM2 Q00987 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 1/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
NPSR1 Q6W5P4 3/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
GRM5 P41594 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 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
SCHEMBL4737580 0.99 AGER (0.51) AGERMDM2L3MBTL1MEN1ALDH1A1
SCHEMBL4738946 0.88 ALDH1A1 (0.43) AGERMDM2L3MBTL1MEN1ALDH1A1
SCHEMBL4737202 0.80 SLC6A9 (0.43) AGERL3MBTL1ALDH1A1KMT2AMTNR1A
SCHEMBL4784363 0.79 SMO (0.43) AGERL3MBTL1ALDH1A1MTNR1AFNTA
SCHEMBL4739773 0.79 SLC6A9 (0.45) AGERL3MBTL1ALDH1A1KMT2AMTNR1A
SCHEMBL4740808 0.78 SLC6A9 (0.44) AGERL3MBTL1ALDH1A1MTNR1AFNTA
SCHEMBL5260135 0.77 TSHR (0.44) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL27978853 0.76 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPSR1TSHRGAA
SCHEMBL6169489 0.74 AGER (0.47) AGERALDH1A1MTNR1ACHRM2CHRM3
SCHEMBL2584500 0.74 TRPA1 (0.46) AGERMEN1ALDH1A1KMT2AMTNR1A

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