SCHEMBL15530893

SCHEMBL15530893

CC(C)(C)C(=O)N1CCC(c2ccc(C(=O)NC3CCN(c4cccnn4)C3)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.44
SLC6A2 P23975 1/20 0.43
TACR1 P25103 1/20 0.43
OPRM1 P35372 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL15378359 1.00 GLS (0.44) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15379555 0.95 GLS (0.40) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15379700 0.91 GLS (0.44) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15380319 0.89 USP30 (0.46) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15379867 0.89 GLS (0.44) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15380320 0.89 USP30 (0.46) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15379291 0.88 GLS (0.48) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15531078 0.88 GLS (0.48) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15379521 0.87 GLS (0.44) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL15380089 0.86 GLS (0.40) GLSSLC6A2TACR1OPRM1HTR2B

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