SCHEMBL14101703

SCHEMBL14101703

CCNC(=O)CN1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.36
F2 P00734 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
AR P10275 1/20 0.34
CXCR3 P49682 3/20 0.33
AVPR1B P47901 2/20 0.33
ALK Q9UM73 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 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
SCHEMBL4720070 0.91 F10 (0.34) F10F2ARCXCR3
SCHEMBL4720064 0.91 F10 (0.34) F10F2ARCXCR3
SCHEMBL14101712 0.90 F10 (0.39) F10F2CXCR3MAPTSLC16A3
SCHEMBL14101709 0.90 F10 (0.39) F10F2CXCR3MAPTSLC16A3
SCHEMBL4722372 0.90 F10 (0.38) F10F2CXCR3MAPTSLC16A3
SCHEMBL14101989 0.89 ADRA1D (0.39) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL4724288 0.87 F10 (0.40) F10F2MAPTSLC16A3SLC16A1
SCHEMBL14101737 0.87 CCR1 (0.39) F10F2CYP2C19MAPT
SCHEMBL4724067 0.84 KMT2A (0.34) F10F2CXCR3MEN1KMT2A
SCHEMBL4724059 0.84 KMT2A (0.34) F10F2CXCR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed