SCHEMBL6558765

SCHEMBL6558765

Cc1cccc(C2CCCC[N]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
ACHE P22303 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 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
SCHEMBL3169257 0.95 HTR2C (0.46) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL3159426 0.79 TAAR1 (0.46) HTR2CCHRNB4CHRNA3HTR2AHTR2B
SCHEMBL3035320 0.79 HTR2C (0.49) HTR2CDRD2HTR2AHTR2BMEN1
SCHEMBL3153900 0.78 ALDH1A1 (0.37) SMN1; SMN2LMNAMAPTACHENPC1
SCHEMBL186274 0.77 NOS1 (0.52) HTR2CDRD3SLC6A3LMNAMAOB
SCHEMBL7794528 0.77 ALDH1A1 (0.40) SMN1; SMN2LMNAMAPTKMT2ANPC1
SCHEMBL3173918 0.76 NOS1 (0.50) HTR2CDRD3SLC6A3LMNAMAOB
SCHEMBL8542775 0.76 NOS1 (0.50) HTR2CDRD3SLC6A3LMNAMAOB
SCHEMBL11313922 0.76 HTR2C (0.41) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL7354887 0.74 KDM1A (0.49) HTR2CDRD2DRD1DRD4DRD5

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-0926164-B1 Substituted amino silane compounds and catalyst for the polymerization of alpha-olefins containing them BASELL NORTH AMERICA INC (US) 2004-02-25 EP claimed
US-6130180-A Catalyst for the polymerization of alpha-olefins containing substituted amino silane compounds MONTELL NORTH AMERICA INC. (US) 2000-10-10 US claimed
EP-0926164-A2 Substituted amino silane compounds and catalyst for the polymerization of alpha-olefins containing them MONTELL NORTH AMERICA INC. (US) 1999-06-30 EP claimed