SCHEMBL3658091

SCHEMBL3658091

Cc1cc(NC(=O)NC2CCCCC2)ccc1[N+]1(C2CCNC2)CCCC1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
EPHX2 P34913 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
EPHX1 P07099 6/20 0.45
HRH3 Q9Y5N1 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL3662226 0.85 EPHX1 (0.49) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL3657582 0.85 HRH3 (0.41) SMN1; SMN2HTTHRH3
SCHEMBL3650309 0.83 KMT2A (0.50) NPC1RAB9ASMN1; SMN2EPHX2TSHR
SCHEMBL3658289 0.83 KMT2A (0.45) NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL3660320 0.81 HRH3 (0.41) NPC1RAB9ASMN1; SMN2EPHX2TSHR
SCHEMBL3655153 0.81 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HTTPKM
Trifluoroacetic Acid SCHEMBL3660920 0.80 HRH3 (0.38) HRH3
SCHEMBL3655033 0.80 HRH3 (0.48) NPC1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL3652477 0.80 ESR1 (0.45) NPC1RAB9A
SCHEMBL3658339 0.79 RAB9A (0.52) NPC1RAB9ASMN1; SMN2HTT

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