SCHEMBL9557104

SCHEMBL9557104

Cc1ccc(CCC(=O)N2CC=CCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NAAA Q02083 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ FKBP1A P62942 3/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL9556940 0.92 NAAA (0.48) ALDH1A1KMT2AMEN1NAAAAKR1C3
SCHEMBL9557043 0.85 NPC1 (0.54) ALDH1A1KMT2AMEN1NPC1TDP1
SCHEMBL9557154 0.85 FKBP1A (0.64) ALDH1A1KMT2AMEN1MAPK1NPC1
SCHEMBL9556919 0.80 NAAA (0.50) ALDH1A1KMT2AMEN1NPC1NAAA
SCHEMBL10195731 0.80 NPC1 (0.70) ALDH1A1KMT2AMEN1NPC1TDP1
SCHEMBL8701414 0.78 NPC1 (0.68) ALDH1A1KMT2AMEN1NPC1TDP1
SCHEMBL9556903 0.77 MAOA (0.51) ALDH1A1NPC1NAAA
SCHEMBL9556995 0.77 SIGMAR1 (0.40) NPC1
SCHEMBL9557059 0.77 RAB9A (0.51) ALDH1A1KMT2AMEN1NPC1TDP1
SCHEMBL10195733 0.77 KMT2A (0.57) ALDH1A1KMT2AMEN1MAPK1NPC1

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-5198450-A PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USAGE OF THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 — — US disclosed
EP-0424528-A1 PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 — — EP disclosed
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