SCHEMBL3658860

SCHEMBL3658860

CC1CCC[N+]1(c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL3661317 0.89 HRH3 (0.43) JAK3HRH3
SCHEMBL3657582 0.87 HRH3 (0.41) JAK3HRH3
Trifluoroacetic Acid SCHEMBL3660055 0.84 HRH3 (0.39) JAK3HRH3
SCHEMBL3662226 0.83 EPHX1 (0.49)
SCHEMBL3657525 0.82 KMT2A (0.49) JAK3
Trifluoroacetic Acid SCHEMBL3660920 0.81 HRH3 (0.38) JAK3HRH3
Trifluoroacetic Acid SCHEMBL3654963 0.80
SCHEMBL3650418 0.79 EPHX2 (0.48)
SCHEMBL3657680 0.79 RAB9A (0.51)
SCHEMBL3656607 0.78 KMT2A (0.47) JAK3HRH3

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