SCHEMBL6376333

SCHEMBL6376333

O=CN1CCC[C@H]1C(=O)Nc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
KDM4E B2RXH2 8/20 0.53
HSD17B10 Q99714 3/20 0.49
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX1 P07099 1/20 0.48
LMNA P02545 1/20 0.47
FABP7 O15540 1/20 0.47
ALDH1A1 P00352 4/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL11114114 0.80 NTMT1 (0.58) HCRTR1HCRTR2KDM4EHSD17B10KMT2A
SCHEMBL6375551 0.79 HTT (0.67) HCRTR1HCRTR2HTTPKMKMT2A
SCHEMBL13868011 0.75 HCRTR1 (0.53) HCRTR1HCRTR2KDM4EHTTPKM
SCHEMBL7075847 0.73 KDM4E (0.51) HCRTR1HCRTR2KDM4EHSD17B10KMT2A
SCHEMBL21401325 0.73 FKBP1A (0.59) PKMALDH1A1USP2
SCHEMBL6380737 0.73 FKBP1A (0.59) PKMALDH1A1USP2
SCHEMBL14503308 0.73 KDM4E (0.68) KDM4EHSD17B10KMT2AMEN1SMN1; SMN2
SCHEMBL18967131 0.71 CFD (0.50) HTTSMN1; SMN2ALDH1A1
SCHEMBL18967332 0.71 HPGD (0.43) HTTSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL6382241 0.70 LMNA (0.55) HTTKMT2AMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086941-B1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORP (JP) 2005-08-17 EP disclosed
US-6420613-B1 CHEMICAL REDUCTION WITH TRICHLOROSILANE TOKUYAMA CORPORATION (JP) 2002-07-16 US disclosed
EP-1086941-A1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORPORATION (JP) 2001-03-28 EP disclosed