SCHEMBL3659607

SCHEMBL3659607

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
RAD52 P43351 1/20 0.32
HRH3 Q9Y5N1 6/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CHRM3 P20309 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR8 P51685 1/20 0.31
FUCA1 P04066 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL3655137 0.86 RAB9A (0.43) MEN1KMT2AFUCA1ALDH1A1RECQL
Trifluoroacetic Acid SCHEMBL3659677 0.85 HRH3 (0.32) HRH3
SCHEMBL3658726 0.82 CYP1A2 (0.44) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3648675 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL3660320 0.81 HRH3 (0.41) HRH3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3658188 0.80 BCL9 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL3651913 0.80 BCL9 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL3653649 0.80 BCL9 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL3661317 0.79 HRH3 (0.43) HRH3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1729647 0.79 EPHX2 (0.38) HTTALDH1A1

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