SCHEMBL15536153

SCHEMBL15536153

CC(C)(C)N1CCC(c2ccc(NC(=O)C3CCN(c4cccnn4)CC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TRPV1 Q8NER1 4/20 0.49
RXFP1 Q9HBX9 2/20 0.46
KDM4E B2RXH2 1/20 0.45
RIPK1 Q13546 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
MALT1 Q9UDY8 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MCHR1 Q99705 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
SCHEMBL15533237 0.94 USP2 (0.48) USP2ALOX15SMN1; SMN2HSD17B10TRPV1
SCHEMBL15378972 0.89 USP2 (0.51) USP2ALOX15SMN1; SMN2HSD17B10TRPV1
SCHEMBL15379420 0.87 PTPN2 (0.59) USP2ALOX15SMN1; SMN2HSD17B10TRPV1
SCHEMBL15378647 0.85 HSD17B10 (0.55) USP2ALOX15SMN1; SMN2HSD17B10TRPV1
SCHEMBL15379873 0.83 USP2 (0.47) USP2ALOX15SMN1; SMN2HSD17B10TRPV1
SCHEMBL15380459 0.83 USP2 (0.47) USP2ALOX15SMN1; SMN2HSD17B10TRPV1
SCHEMBL15379165 0.83 PTPN2 (0.56) USP2ALOX15SMN1; SMN2HSD17B10TRPV1
SCHEMBL15379162 0.83 PTPN2 (0.56) USP2ALOX15SMN1; SMN2HSD17B10TRPV1
SCHEMBL15379667 0.83 PTPN1 (0.59) USP2ALOX15SMN1; SMN2HSD17B10RIPK1
SCHEMBL15380035 0.82 USP2 (0.49) USP2ALOX15SMN1; SMN2HSD17B10TRPV1

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
EP-2847181-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP disclosed
WO-2013170115-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed