SCHEMBL3662481

SCHEMBL3662481

CNC(=O)CCNC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DDR1 Q08345 1/20 0.34
RIPK1 Q13546 1/20 0.34
CCR2 P41597 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
TP53 P04637 1/20 0.33
EPHX2 P34913 2/20 0.33
KMT2A Q03164 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
GLP1R P43220 1/20 0.32
GCGR P47871 1/20 0.32

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
SCHEMBL3654201 0.93 F2 (0.39) F2RHOCRHOAPOLBALDH1A1
SCHEMBL3656419 0.92 NPC1 (0.35) F2EPHX2
SCHEMBL3655106 0.91 F2 (0.38) F2RHOCRHOAPOLBALDH1A1
SCHEMBL3659526 0.91 F2 (0.46) F2RHOCRHOAPOLBALDH1A1
SCHEMBL3660828 0.91 RHOC (0.47) F2RHOCRHOADDR1CCR2
SCHEMBL977990 0.89 F2 (0.37) F2RHOCRHOAPOLBDDR1
SCHEMBL3661726 0.89 CCR2 (0.39) F2POLBCCR2DRD2DRD3
SCHEMBL3658255 0.88 F2 (0.36) F2RHOCRHOADDR1CCR2
SCHEMBL3662128 0.86 TSHR (0.35) POLBALDH1A1DDR1RIPK1TP53
SCHEMBL3401787 0.86 F2 (0.39) F2DDR1RIPK1TP53KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO disclosed