SCHEMBL20012293

SCHEMBL20012293

CC1CC(CCNC2Cc3ccccc3C2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
KDM1A O60341 1/20 0.38
NR1H2 P55055 5/20 0.38
OPRD1 P41143 1/20 0.37
DRD2 P14416 2/20 0.37
ABCB1 P08183 1/20 0.36
EPHX2 P34913 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
DPP4 P27487 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL23679890 0.88 NAMPT (0.40) NAMPTKDM1ANR1H2OPRD1DRD2
SCHEMBL20012324 0.83 NAMPT (0.40) NAMPTKDM1ANR1H2OPRD1DRD2
SCHEMBL11969272 0.81 OPRD1 (0.52) KDM1AOPRD1DRD2DPP4MEN1
SCHEMBL11969924 0.80 KDM1A (0.55) KDM1AOPRD1DRD2DPP4MEN1
SCHEMBL11993884 0.76 ABCB1 (0.41) NR1H2ABCB1
SCHEMBL16080305 0.76 NR1H2 (0.51) NR1H2ABCB1DPP4
SCHEMBL23691566 0.74 ATM (0.41) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL8064836 0.74 SRC (0.41) NAMPTNR1H2HDAC8
SCHEMBL12926208 0.73 SRC (0.39) NAMPTNR1H2ABCB1MEN1KMT2A
SCHEMBL19674208 0.72 HSD17B10 (0.40) NAMPTNR1H2MEN1KMT2A

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-3363437-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS SOLUTIONS (US) 2021-07-28 EP disclosed
EP-2675787-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed