SCHEMBL14747925

SCHEMBL14747925

CC(F)(F)c1cccc(C(c2ccccc2)N2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
OPRD1 P41143 14/20 0.61
OPRM1 P35372 3/20 0.51
SLC6A4 P31645 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
CACNA2D1 P54289 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNA1C Q13936 1/20 0.48
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A9 P48067 1/20 0.45

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
SCHEMBL4135481 0.89 MEN1 (0.66) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL4152093 0.84 SLC6A4 (0.60) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL8964096 0.84 OPRD1 (0.57) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL2794662 0.79 MEN1 (1.00) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL219432 0.79 MEN1 (1.00) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL10357009 0.79 TACR1 (0.53) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL1743579 0.79 MEN1 (0.72) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL7101300 0.79 MEN1 (0.72) MEN1KMT2AOPRD1OPRM1SLC6A4
SCHEMBL7098971 0.79 MEN1 (0.72) MEN1KMT2AOPRD1OPRM1SLC6A4
Hydrochloric Acid SCHEMBL5011277 0.77 MEN1 (0.70) MEN1KMT2AOPRD1OPRM1SLC6A4

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-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP disclosed