SCHEMBL9129117

SCHEMBL9129117

CC(=O)NC1C2CN(C(=O)OCc3ccccc3)CC21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.48
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CHRM4 P08173 1/20 0.46
GRIN2B Q13224 3/20 0.46
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
CHRM1 P11229 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL9129111 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9131673 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL26510689 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10123045 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25702008 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28552221 0.87 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28552220 0.87 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25697317 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25697315 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14428335 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-5475116-A Aza bicyclo[3,1,0]hexane intermediates useful in the synthesis of quinolones PFIZER INC. (US) 1995-12-12 US disclosed