SCHEMBL8716956

SCHEMBL8716956

C[N]C(CN1CCCC1)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
PTGIR P43119 1/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A2 P23975 1/20 0.42
LTA4H P09960 1/20 0.42
IGF1R P08069 1/20 0.42
MIF P14174 1/20 0.42
MEN1 O00255 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 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
SCHEMBL12826492 0.85 POLB (0.52) KDM4EPOLBSMN1; SMN2ALDH1A1MITF
SCHEMBL8716978 0.81 UGCG (0.41) POLBSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL9130644 0.81 POLB (0.49) KDM4EPOLBALDH1A1HIF1AKMT2A
SCHEMBL8720249 0.80 ALDH1A1 (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1MITF
SCHEMBL8719808 0.79 OPRK1 (0.46) KDM4EOPRM1OPRD1OPRK1
SCHEMBL8716961 0.75 KDM4E (0.51) KDM4EPOLBSMN1; SMN2ALDH1A1MITF
SCHEMBL10256789 0.75 SMN1; SMN2 (0.64) KDM4EPOLBSMN1; SMN2ALDH1A1MITF
SCHEMBL13343048 0.75 HRH3 (0.51) KDM4EPOLBALDH1A1LMNAHRH3
SCHEMBL14069127 0.74 KDM4E (0.50) KDM4EPOLBSMN1; SMN2ALDH1A1MITF
SCHEMBL2168032 0.73 KDM4E (0.56) KDM4EPOLBSMN1; SMN2ALDH1A1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
US-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed