SCHEMBL8720326

SCHEMBL8720326

Cc1ccc([C@](C)(N)CN2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH1 P35367 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 5/20 0.38
SIGMAR1 Q99720 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PSMB1 P20618 2/20 0.37
PSMB5 P28074 2/20 0.37
PSMB2 P49721 2/20 0.37
CHRM2 P08172 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD3 P35462 1/20 0.36
CACNA1B Q00975 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL8717062 0.84 CYP2B6 (0.47) HRH3MEN1KMT2ANPSR1KDM4E
SCHEMBL8351139 0.81 HRH3 (0.47) HRH3MEN1KMT2AHRH1TSHR
SCHEMBL8717430 0.77 ALDH1A1 (0.37) HRH1NPSR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8353927 0.71 MEN1 (0.57) HRH3MEN1KMT2AHRH1NPSR1
SCHEMBL12038270 0.70 TSHR (0.50) MEN1KMT2ATSHRRAB9A
SCHEMBL17018523 0.70 TSHR (0.50) TSHRRAB9A
SCHEMBL20976187 0.69 GAA (0.53) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL4632546 0.69 GAA (0.53) MEN1KMT2ASIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL14347905 0.68 ALPL (0.47) HRH3MEN1KMT2ATSHRNPSR1
SCHEMBL12828096 0.67 TSHR (0.46) TSHRRAB9A

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-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed