SCHEMBL7134653

SCHEMBL7134653

O=CC[C@]1(c2ccc(F)c(F)c2)CCC(=O)N(C2CCCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.44
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
SLC6A2 P23975 4/20 0.38
RAB9A P51151 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KMT2A Q03164 1/20 0.34
TACR2 P21452 2/20 0.33
PGR P06401 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL7134657 1.00 TACR1 (0.44) TACR1SLC6A4SLC6A3SLC6A2RAB9A
SCHEMBL6984627 0.82 TACR1 (0.47) TACR1SLC6A4SLC6A3SLC6A2RAB9A
SCHEMBL6984751 0.82 TACR1 (0.47) TACR1SLC6A4SLC6A3SLC6A2RAB9A
SCHEMBL7555122 0.75 TACR1 (0.59) TACR1SLC6A4SLC6A3SLC6A2TACR2
SCHEMBL7555128 0.75 TACR1 (0.59) TACR1SLC6A4SLC6A3SLC6A2TACR2
SCHEMBL28272377 0.73 HSD11B1 (0.40) TACR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7139722 0.70 TACR2 (0.52) TACR1TACR2
SCHEMBL7139720 0.70 TACR2 (0.52) TACR1TACR2
SCHEMBL6984664 0.66 TACR1 (0.61) TACR1TACR2
SCHEMBL8150748 0.65 TACR2 (0.46) 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 2 patents. 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
EP-0962457-A1 Piperidones as tachykinin antagonists Pfizer Limited (GB) 1999-12-08 EP disclosed