SCHEMBL4962811

SCHEMBL4962811

O=C(Nc1ccccc1C1CCCCCC1)[C@H]1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
CETP P11597 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HTR6 P50406 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ROCK2 O75116 1/20 0.46
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PBK Q96KB5 1/20 0.44
LMNA P02545 1/20 0.44
ULK1 O75385 1/20 0.43
F10 P00742 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 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
SCHEMBL4963033 1.00 TNKS (0.55) TNKSTNKS2CETPHDAC3HDAC1
SCHEMBL4961287 0.90 TNKS (0.56) TNKSTNKS2CETPHDAC3HDAC1
SCHEMBL4962533 0.89 TNKS (0.55) TNKSTNKS2CETPHDAC3HDAC1
SCHEMBL4962740 0.85 TNKS (0.51) TNKSTNKS2CETPHDAC3HDAC1
SCHEMBL14837563 0.83 CETP (0.65) CETPHDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL2447263 0.80 TNKS (0.58) TNKSTNKS2CETPHDAC3HDAC1
SCHEMBL2451469 0.80 TNKS (0.58) TNKSTNKS2CETPHDAC3HDAC1
SCHEMBL3416580 0.77 SMN1; SMN2 (0.71) TNKSTNKS2SMN1; SMN2HPGDALDH1A1
SCHEMBL2446479 0.76 HPGD (0.66) TNKSTNKS2SMN1; SMN2HPGDLMNA
SCHEMBL1318173 0.76 HPGD (0.66) TNKSTNKS2SMN1; SMN2HPGDLMNA

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 6 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
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed