SCHEMBL3660320

SCHEMBL3660320

Cc1cc([N+]2(C3CCNC3)CCCC2C)ccc1NC(=O)NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
EPHX1 P07099 2/20 0.39
EPHX2 P34913 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3661317 0.84 HRH3 (0.43) HRH3HTTSMN1; SMN2KMT2AMEN1
SCHEMBL3655137 0.83 RAB9A (0.43) RAB9ANPC1KMT2AMEN1EPHX2
SCHEMBL1729647 0.81 EPHX2 (0.38) HTTEPHX1EPHX2TSHRALDH1A1
SCHEMBL3658091 0.81 NPC1 (0.53) HRH3HTTRAB9ANPC1SMN1; SMN2
SCHEMBL3658188 0.81 BCL9 (0.41) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3651913 0.81 BCL9 (0.41) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3653649 0.81 BCL9 (0.41) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3659607 0.81 LMNA (0.33) HRH3HTTSMN1; SMN2KMT2AMEN1
SCHEMBL3656321 0.79 KCNH2 (0.44) HRH3HTTRAB9ANPC1SMN1; 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 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