SCHEMBL3662226

SCHEMBL3662226

CC1CCC[N+]1(c1ccc(NC(=O)NC2CCCCC2)cc1)C1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.49
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
EPHX2 P34913 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3660320 0.85 HRH3 (0.41) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL3658091 0.85 NPC1 (0.53) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL3658860 0.83 JAK3 (0.43)
SCHEMBL3650418 0.82 EPHX2 (0.48) RAB9ANPC1EPHX2SMN1; SMN2CYP2C19
SCHEMBL3657680 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3657525 0.79 KMT2A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2636067 0.78 EPHX2 (0.42) RAB9ANPC1EPHX2SMN1; SMN2ALDH1A1
SCHEMBL3656607 0.78 KMT2A (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3653079 0.78 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL2636415 0.78 EPHX2 (0.41) RAB9ANPC1EPHX2SMN1; SMN2ALDH1A1

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