SCHEMBL3656273

SCHEMBL3656273

Cc1cc([N+]2([C@@H]3CCNC3)CCC[C@@H]2C)ccc1NC(=O)c1cc(F)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
KCNH2 Q12809 3/20 0.44
PLAT P00750 2/20 0.40
TP53 P04637 2/20 0.39
THRB P10828 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
AVPR2 P30518 2/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
CHRM3 P20309 2/20 0.35
CCR8 P51685 2/20 0.34
PARP1 P09874 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 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
SCHEMBL3653649 0.89 BCL9 (0.41) MAPTSMN1; SMN2BCL9CTNNB1
SCHEMBL3658188 0.89 BCL9 (0.41) MAPTSMN1; SMN2BCL9CTNNB1
SCHEMBL3651913 0.89 BCL9 (0.41) MAPTSMN1; SMN2BCL9CTNNB1
SCHEMBL3656206 0.88 KCNH2 (0.44) HRH3KCNH2TP53MAPTSMN1; SMN2
SCHEMBL3656321 0.88 KCNH2 (0.44) HRH3KCNH2TP53MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3656579 0.85 BCL9 (0.37) KCNH2AVPR2OXTRAVPR1ABCL9
SCHEMBL3657254 0.81 SMN1; SMN2 (0.39) MAPTSMN1; SMN2LMNABCL9CTNNB1
SCHEMBL3648133 0.80 LMNA (0.41) MAPTSMN1; SMN2KDM4ELMNABCL9
SCHEMBL3650108 0.80 GAA (0.48) GAAMAPTKDM4E
SCHEMBL3654285 0.79 MAPT (0.38) MAPTSMN1; SMN2

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