SCHEMBL4963259

SCHEMBL4963259

CC(C)(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
HTR6 P50406 2/20 0.46
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 1/20 0.43
F10 P00742 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KHK P50053 1/20 0.42
PBK Q96KB5 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SSTR4 P31391 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CETP P11597 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL2451469 0.79 TNKS (0.58) TNKSTNKS2HTR6ROCK2ALDH1A1
SCHEMBL2447500 0.78 SSTR4 (0.59) TNKSTNKS2KMT2AF10KHK
SCHEMBL2447263 0.76 TNKS (0.58) TNKSTNKS2HTR6MEN1KMT2A
SCHEMBL3416580 0.76 SMN1; SMN2 (0.71) TNKSTNKS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL1318173 0.76 HPGD (0.66) TNKSTNKS2MEN1KMT2AF10
SCHEMBL2446479 0.76 HPGD (0.66) TNKSTNKS2MEN1KMT2AF10
SCHEMBL1318166 0.76 HPGD (0.66) TNKSTNKS2MEN1KMT2AF10
Hydrochloric Acid SCHEMBL4033476 0.74 HPGD (0.64) TNKSTNKS2MEN1KMT2AF10
SCHEMBL24016844 0.74 RXFP1 (0.59) TNKSTNKS2HTR6RXFP1F10
SCHEMBL4963033 0.73 TNKS (0.55) TNKSTNKS2HTR6RXFP1CYP1A2

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 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