SCHEMBL8970883

SCHEMBL8970883

CN(CC(c1ccc(Cl)c(Cl)c1)N(C)CCO)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.36
TACR2 P21452 2/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR3 Q99500 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL8970527 0.86 F2R (0.34) F2RTACR2SLC6A4SLC6A2SLC6A3
SCHEMBL756561 0.81 TACR2 (0.46) TACR2
SCHEMBL4870085 0.81 TACR2 (0.46) TACR2
SCHEMBL8559300 0.81 F2R (0.52) F2RTACR2SLC6A4SLC6A2SLC6A3
SCHEMBL8557969 0.80 SLC6A2 (0.37) F2RTACR2SLC6A4SLC6A2SLC6A3
SCHEMBL7315171 0.80 TACR2 (0.45) TACR2
SCHEMBL8483223 0.78 TACR2 (0.41) F2RTACR2
SCHEMBL756560 0.77 ALDH1A1 (0.35) TACR2SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL1690588 0.77 F2R (0.41) F2RSLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL1690586 0.77 F2R (0.41) F2RSLC6A4SLC6A2SLC6A3CYP3A4

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-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 WO disclosed