SCHEMBL3656607

SCHEMBL3656607

CC1CCC[N+]1(c1ccc(NC(=O)NCc2cccs2)cc1)C1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
TP53 P04637 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL3655033 0.87 HRH3 (0.48) KMT2ASMN1; SMN2MEN1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL3657956 0.83 HRH3 (0.44) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3662226 0.78 EPHX1 (0.49) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3658860 0.78 JAK3 (0.43) HRH3JAK3
SCHEMBL3657525 0.76 KMT2A (0.49) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3653079 0.75 RAB9A (0.50) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3657680 0.74 RAB9A (0.51) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL2636793 0.72 BCL9 (0.33)
Trifluoroacetic Acid SCHEMBL3650317 0.71 EPHX2 (0.43) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3657524 0.71 PARP10 (0.39)

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-2215058-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-11 EP claimed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO claimed
EP-2215058-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-11 EP disclosed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed