SCHEMBL8720321

SCHEMBL8720321

CN[C@H](CN1CCCC1)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD3 P35462 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SLC6A4 P31645 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 2/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HRH1 P35367 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2950066 0.85 LMNA (0.40) SIGMAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL8716789 0.85 POLB (0.49) CHRM2DRD3ALDH1A1SLC6A4KMT2A
SCHEMBL2950815 0.85 LMNA (0.40) SIGMAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL9130649 0.85 POLB (0.49) CHRM2DRD3ALDH1A1SLC6A4KMT2A
SCHEMBL9015341 0.85 UGCG (0.44) CHRM2DRD3ALDH1A1LMNAKMT2A
SCHEMBL5844785 0.84 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL5559778 0.84 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL5559775 0.84 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL9677137 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MITFRAB9A
SCHEMBL17574260 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MITFRAB9A

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-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
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed