SCHEMBL3653649

SCHEMBL3653649

Cc1cc([N+]2([C@H]3CCNC3)CCC[C@@H]2C)ccc1NC(=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 7/20 0.41
CTNNB1 P35222 7/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNMA1 Q12791 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3658188 1.00 BCL9 (0.41) BCL9CTNNB1RAB9AMAPTSMN1; SMN2
SCHEMBL3651913 1.00 BCL9 (0.41) BCL9CTNNB1RAB9AMAPTSMN1; SMN2
SCHEMBL3656273 0.89 HRH3 (0.44) BCL9CTNNB1MAPTSMN1; SMN2
SCHEMBL3657254 0.89 SMN1; SMN2 (0.39) BCL9CTNNB1RAB9AMAPTSMN1; SMN2
SCHEMBL3648133 0.89 LMNA (0.41) BCL9CTNNB1RAB9AMAPTSMN1; SMN2
SCHEMBL3654285 0.88 MAPT (0.38) RAB9AMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3655804 0.87 CYP1A2 (0.36) RAB9A
Trifluoroacetic Acid SCHEMBL3655792 0.86 MAPT (0.37) BCL9CTNNB1RAB9AMAPTSMN1; SMN2
SCHEMBL3656321 0.86 KCNH2 (0.44) RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3656206 0.86 KCNH2 (0.44) RAB9AMAPTSMN1; SMN2ALDH1A1

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