SCHEMBL15529997

SCHEMBL15529997

O=C(O)N1CC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.62
GRIN2B Q13224 7/20 0.61
CYP3A4 P08684 2/20 0.56
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
STAT1 P42224 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL15530184 0.92 NPC1 (0.61) NAMPTGRIN2BCYP3A4NPC1RAB9A
SCHEMBL15528784 0.89 NAMPT (0.61) NAMPTGRIN2BCYP3A4NPC1RAB9A
SCHEMBL15529003 0.89 NAMPT (0.61) NAMPTGRIN2BCYP3A4NPC1RAB9A
SCHEMBL15528993 0.88 NAMPT (0.60) NAMPTGRIN2BCYP3A4NPC1RAB9A
SCHEMBL15529611 0.88 NAMPT (0.56) NAMPTGRIN2BCYP3A4
SCHEMBL15529761 0.87 NAMPT (0.59) NAMPTGRIN2BCYP3A4NPC1RAB9A
SCHEMBL15529185 0.86 NAMPT (0.64) NAMPTGRIN2BCYP3A4NPC1RAB9A
SCHEMBL15528801 0.86 CYP3A4 (0.59) NAMPTGRIN2BCYP3A4NPC1RAB9A
SCHEMBL15529481 0.86 NAMPT (0.58) NAMPTGRIN2BCYP3A4NPC1RAB9A
SCHEMBL15529251 0.86 NAMPT (0.61) NAMPTGRIN2BCYP3A4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 EP claimed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO claimed
EP-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 EP disclosed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed