SCHEMBL5670231

SCHEMBL5670231

CC(C)CC1CN(C(=O)O)CCc2cc(C3=CCN(C(=O)OCc4ccccc4)CC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 1/20 0.49
▸ TMEM97 Q5BJF2 9/20 0.40
▸ SIGMAR1 Q99720 9/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ GHSR Q92847 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ HTR2A P28223 1/20 0.37

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
SCHEMBL5670228 0.85 LNPEP (0.46) LNPEPTMEM97SIGMAR1PRMT1GRM5
SCHEMBL5670085 0.82 TMEM97 (0.56) TMEM97SIGMAR1HRH3CHRM4HTR1A
SCHEMBL5165139 0.79 GRIN1 (0.54) GHSRHRH3
SCHEMBL5669989 0.77 ESR1 (0.38) SMN1; SMN2HTR1AADRA2AHTR2AHTR2B
SCHEMBL10236206 0.76 LNPEP (0.54) LNPEPTMEM97SIGMAR1PRMT1GRM5
SCHEMBL14441055 0.76 TMEM97 (0.48) LNPEPTMEM97SIGMAR1PRMT1GRM5
SCHEMBL8315932 0.75 MEN1 (0.57) LNPEPPRMT1GRM5NPC1RAB9A
SCHEMBL2124647 0.75 ESR1 (0.44) SIGMAR1GRM5HTR1AADRA2AHTR2B
SCHEMBL5455714 0.74 NAMPT (0.53) LNPEPTMEM97SIGMAR1GRM5HRH3
SCHEMBL749352 0.74 GRM5 (0.54) LNPEPPRMT1GRM5PTGDR2NPC1

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-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 — — EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 — — WO disclosed
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