SCHEMBL4444358

SCHEMBL4444358

NC(=O)/N=C1\NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 2/20 0.36
CFTR P13569 1/20 0.35
PPARG P37231 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NTSR1 P30989 1/20 0.34
MC4R P32245 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
GUSB P08236 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL3585589 1.00 HTT (0.38) HTTLMNAMAPTCETPCFTR
SCHEMBL3585595 1.00 HTT (0.38) HTTLMNAMAPTCETPCFTR
SCHEMBL3585592 1.00 HTT (0.38) HTTLMNAMAPTCETPCFTR
SCHEMBL3592410 0.88 CETP (0.39) HTTLMNAMAPTCETPCFTR
SCHEMBL3592408 0.88 CETP (0.39) HTTLMNAMAPTCETPCFTR
SCHEMBL3582118 0.86 L3MBTL1 (0.35) HTTLMNAMAPTCETPCFTR
SCHEMBL13168086 0.86 L3MBTL1 (0.35) HTTLMNAMAPTCETPCFTR
SCHEMBL3582116 0.86 L3MBTL1 (0.35) HTTLMNAMAPTCETPCFTR
SCHEMBL3591654 0.84 HTT (0.36) HTTLMNAMAPTCETPCFTR
SCHEMBL4447056 0.84 HTT (0.36) HTTLMNAMAPTCETPCFTR

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-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed