SCHEMBL28772407

SCHEMBL28772407

CC(C)(C)C(=O)ON1CCC(Nc2ccc(CN)cc2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.42
HDAC1 Q13547 2/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGER4 P35408 1/20 0.31

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
SCHEMBL27741408 0.85 ALOX15 (0.44) ALOX15ALDH1A1NPC1MAPTMAPK1
SCHEMBL28835206 0.81 GPR119 (0.44) ALOX15ALDH1A1GAA
SCHEMBL27909355 0.81 MAPT (0.49) ALOX15HDAC1ALDH1A1NPC1MAPT
SCHEMBL27488032 0.79 F2 (0.41)
SCHEMBL27770113 0.78 ALOX15 (0.53) ALOX15ALDH1A1NPC1MAPTRAB9A
SCHEMBL27741417 0.76 ALOX15 (0.35) ALOX15HDAC1ALDH1A1NPC1MAPT
SCHEMBL27680725 0.75 CCNA2 (0.41)
SCHEMBL28104989 0.75 GPR119 (0.42)
SCHEMBL27981483 0.74 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL27943715 0.72 KMT2A (0.51) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273026-A Indane derivatives as MCH receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-24 CN disclosed