SCHEMBL21342016

SCHEMBL21342016

COc1ccc(C2CN(Cc3ccncc3)C(=O)C[C@H]2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM1A O60341 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GRM2 Q14416 1/20 0.40
GFER P55789 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL21342499 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KDM1AKMT2AMAOA
SCHEMBL21342015 0.78 KDM1A (0.44) SMN1; SMN2ALDH1A1KDM1AKMT2AL3MBTL1
SCHEMBL15415176 0.75 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2AL3MBTL1CYP3A4
SCHEMBL21342013 0.75 FPR2 (0.59)
Hydrochloric Acid SCHEMBL16333534 0.74 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KMT2AL3MBTL1CYP3A4
SCHEMBL21342338 0.73 KDM1A (0.51) SMN1; SMN2ALDH1A1KDM1AMAOAMAOB
SCHEMBL8348748 0.71 GRM2 (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL19972421 0.70 PDE4A (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL19972374 0.70 PDE4A (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL19972419 0.70 PDE4A (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1

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
WO-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed