SCHEMBL16480375

SCHEMBL16480375

CC1C[C@@H](O)CN1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL16480468 1.00 SMN1; SMN2 (0.58) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL9893033 0.85 SMN1; SMN2 (0.56) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL9893045 0.85 SMN1; SMN2 (0.56) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL9891827 0.85 SMN1; SMN2 (0.56) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL9891886 0.85 SMN1; SMN2 (0.56) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL9103651 0.81 SMN1; SMN2 (0.64) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL3707377 0.81 SMN1; SMN2 (0.64) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL3707374 0.81 SMN1; SMN2 (0.64) SMN1; SMN2POLBLMNAMAPTMEN1
SCHEMBL22187889 0.79 SMN1; SMN2 (0.49) SMN1; SMN2POLBLMNAMAPTMEN1
Hydrochloric Acid SCHEMBL28597259 0.78 SMN1; SMN2 (0.48) SMN1; SMN2POLBLMNAMAPTMEN1

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed