SCHEMBL13811853

SCHEMBL13811853

CC(=O)NC(CCCCN)(CCc1ccccc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 3/20 0.37
MMP3 P08254 3/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.36
CPA1 P15085 1/20 0.36
CPA2 P48052 1/20 0.36
CPA4 Q9UI42 1/20 0.36
SSTR4 P31391 1/20 0.36
THRB P10828 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 2/20 0.36

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
SCHEMBL4406979 0.91 ALDH1A1 (0.38) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL13821633 0.86 ALDH1A1 (0.38) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL27477364 0.83 SCN5A (0.38) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL4402308 0.82 LMNA (0.36) ALDH1A1MAPTRECQLTHRBTAAR1
SCHEMBL1697372 0.72 ALDH1A1 (0.48) ALDH1A1NPC1MAPTRAB9ARECQL
4-Phenyl-Butylamine SCHEMBL31595530 0.71 MAOA (0.76) MAOAALDH1A1POLBMAPTTAAR1
SCHEMBL19260220 0.71 ALDH1A1 (0.40) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL8763135 0.70 TSHR (0.39) ALDH1A1NPC1RAB9A
Acetic Acid SCHEMBL8589684 0.69 MAOA (0.65) MAOAALDH1A1POLBNPC1MAPT
SCHEMBL12733180 0.69 ALDH1A1 (0.59) ALDH1A1MAPTRECQLTHRBTAAR1

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-7553809-B2 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2009-06-30 US disclosed
US-7553809-B2 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2009-06-30 US disclosed