SCHEMBL13753510

SCHEMBL13753510

COc1cccc(C(=O)N2CCCC2C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ HCRTR1 O43613 1/20 0.55
▸ HCRTR2 O43614 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HSD11B1 P28845 1/20 0.52
▸ MGLL Q99685 1/20 0.52
▸ PREP P48147 1/20 0.52

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
SCHEMBL13753508 0.86 ALDH1A1 (0.60) HPGDTSHRSMN1; SMN2NPC1TP53
SCHEMBL13753516 0.85 HSD11B1 (0.55) HPGDGAAMEN1MAPK1KMT2A
SCHEMBL3887424 0.84 L3MBTL1 (0.57) HPGDTSHRSMN1; SMN2KMT2AL3MBTL1
SCHEMBL15743801 0.84 HCRTR1 (0.53) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL13753514 0.84 KMT2A (0.58) HPGDGAAMEN1MAPK1KMT2A
SCHEMBL20826492 0.84 KMT2A (0.58) HPGDGAAMEN1MAPK1KMT2A
SCHEMBL30524747 0.83 SPHK2 (0.58) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL13570365 0.83 SPHK2 (0.58) HCRTR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL16759939 0.83 HSD11B1 (0.58) HCRTR1HCRTR2MEN1KMT2AL3MBTL1
SCHEMBL13753517 0.83 HPGD (0.71) HPGDSMN1; SMN2GAAMEN1KMT2A

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-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
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