SCHEMBL6984627

SCHEMBL6984627

O=C1CC[C@](CC2OCCO2)(c2ccc(F)c(F)c2)CN1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.47
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
RAB9A P51151 1/20 0.37
SLC6A2 P23975 4/20 0.36
KMT2A Q03164 1/20 0.35
TACR2 P21452 2/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
PER2 O15055 1/20 0.32
AADAT Q8N5Z0 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6984751 1.00 TACR1 (0.47) TACR1SLC6A4SLC6A3RAB9ASLC6A2
SCHEMBL6984664 0.84 TACR1 (0.61) TACR1TACR2
SCHEMBL7134653 0.82 TACR1 (0.44) TACR1SLC6A4SLC6A3RAB9ASLC6A2
SCHEMBL7134657 0.82 TACR1 (0.44) TACR1SLC6A4SLC6A3RAB9ASLC6A2
SCHEMBL28270989 0.74 HSD11B1 (0.39) TACR1HSD11B1
SCHEMBL5900951 0.73 RECQL (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL8151791 0.73 SLC6A3 (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL5900846 0.73 SLC6A3 (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL8148212 0.69 TACR2 (0.45) TACR1TACR2
SCHEMBL8148208 0.69 TACR2 (0.45) TACR1TACR2

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-0962457-B1 Piperidones as tachykinin antagonists PFIZER LTD (GB) 2003-08-06 EP disclosed