SCHEMBL13794162

SCHEMBL13794162

CC(=O)N[C@@H]1CC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
KDM1A O60341 10/20 0.55
CNR1 P21554 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
EPHX2 P34913 4/20 0.54
MAOB P27338 2/20 0.53
TLR2 O60603 1/20 0.52
TLR1 Q15399 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAOA P21397 1/20 0.51

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
SCHEMBL25021708 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL1600902 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL1197466 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL14544486 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL862934 1.00 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
Hydrochloric Acid SCHEMBL28254537 0.98 SMN1; SMN2 (0.96) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL12539724 0.86 SMN1; SMN2 (0.76) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL12539722 0.86 SMN1; SMN2 (0.76) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL6154005 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1HRH3
SCHEMBL7980208 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1ACNR1HRH3

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
US-7544697-B2 Pyrazolopyridines and analogs thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-09 US disclosed