SCHEMBL2635967

SCHEMBL2635967

C[C@H]1CCC[N+]1(c1ccc(CC(=O)NC2CCOCC2)cc1)[C@H]1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
HTT P42858 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL2636067 0.92 EPHX2 (0.42) EPHX2NPC1RAB9APOLBLMNA
Hydrochloric Acid SCHEMBL2636415 0.91 EPHX2 (0.41) EPHX2NPC1RAB9APOLBLMNA
SCHEMBL2635572 0.86 SMN1; SMN2 (0.38) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2636401 0.83 KMT2A (0.54) EPHX2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2635621 0.82 GPR119 (0.42) EPHX2NPC1RAB9AALDH1A1MEN1
SCHEMBL2636008 0.80 SMN1; SMN2 (0.36) NPC1RAB9ACDK2SMN1; SMN2
SCHEMBL2636317 0.78 NAMPT (0.40) POLB
SCHEMBL3650418 0.73 EPHX2 (0.48) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL2635950 0.72 ACKR3 (0.43)
SCHEMBL2635212 0.72 PRKCZ (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569297-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP claimed
WO-2011143161-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO claimed
EP-2569297-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
WO-2011143161-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed