SCHEMBL8587104

SCHEMBL8587104

[c]1ccc(C2CCCN2CCN2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.39
HRH3 Q9Y5N1 10/20 0.36
SLC6A4 P31645 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CXCR4 P61073 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8592298 0.85 L3MBTL3 (0.36) L3MBTL3HRH3SLC6A4PIK3C3SIGMAR1
SCHEMBL8542700 0.83 ATM (0.44) HRH3SIGMAR1ALDH1A1NPC1USP2
SCHEMBL8542014 0.80 SMN1; SMN2 (0.50) HRH3SLC6A4ALDH1A1TSHR
SCHEMBL25378330 0.77 CHRNB2 (0.36) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30866563 0.76 ALDH1A1 (0.57) HRH3SLC6A4ALDH1A1HPGDCHRNB2
SCHEMBL9674112 0.76 ALDH1A1 (0.57) HRH3SLC6A4ALDH1A1HPGDCHRNB2
SCHEMBL9674102 0.76 ALDH1A1 (0.57) HRH3SLC6A4ALDH1A1HPGDCHRNB2
SCHEMBL9674105 0.76 ALDH1A1 (0.57) HRH3SLC6A4ALDH1A1HPGDCHRNB2
SCHEMBL8539303 0.76 DRD3 (0.47) SIGMAR1
SCHEMBL8544484 0.74 CHRM2 (0.41) L3MBTL3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed