SCHEMBL3656206

SCHEMBL3656206

Cc1cc([N+]2(C3CCNC3)CCCC2C)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CCR8 P51685 3/20 0.38
BCL3 P20749 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL3656321 1.00 KCNH2 (0.44) KCNH2HRH3KMT2ASMN1; SMN2RAB9A
SCHEMBL3656273 0.88 HRH3 (0.44) KCNH2HRH3SMN1; SMN2LMNACCR8
SCHEMBL3651913 0.86 BCL9 (0.41) SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3653649 0.86 BCL9 (0.41) SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3658188 0.86 BCL9 (0.41) SMN1; SMN2RAB9AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3657521 0.82 MEN1 (0.42) KMT2ASMN1; SMN2RAB9AMEN1LMNA
SCHEMBL3650108 0.81 GAA (0.48) KMT2ARAB9AMEN1KDM4EALDH1A1
SCHEMBL3657254 0.81 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ALMNAALDH1A1NPC1
SCHEMBL3648133 0.80 LMNA (0.41) KMT2ASMN1; SMN2RAB9AMEN1LMNA
SCHEMBL3658726 0.79 CYP1A2 (0.44) KMT2ASMN1; SMN2RAB9AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed