SCHEMBL4966191

SCHEMBL4966191

COc1ccc(-c2ccc(N3CCCC(C(N)=O)C3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAK O14976 1/20 0.49
▸ FPR2 P25090 1/20 0.48
▸ SCN9A Q15858 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ MCHR1 Q99705 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ DGAT2 Q96PD7 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ DGAT1 O75907 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NEK2 P51955 1/20 0.42
▸ BTK Q06187 1/20 0.42

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
SCHEMBL4961975 0.89 PIK3CD (0.51) GAKFPR2SCN9ADGAT2CDK9
SCHEMBL27665014 0.82 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1DGAT2
SCHEMBL613084 0.82 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1DGAT2
SCHEMBL15911942 0.80 CDK9 (0.47) ALDH1A1CDK9KDM4EHPGDKMT2A
SCHEMBL2446468 0.80 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL29086063 0.77 HRH3 (0.46) RAB9ANPC1SMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL30585985 0.77 HRH3 (0.46) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL13658037 0.77 KDM4E (0.56) ALDH1A1DGAT2POLBCDK9KDM4E
SCHEMBL13662096 0.77 CDK9 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1CDK9
SCHEMBL5239769 0.76 EGLN1 (0.49) RAB9ANPC1SMN1; SMN2EGLN1MCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 — — EP claimed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 — — EP claimed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 — — WO claimed
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