SCHEMBL5159629

SCHEMBL5159629

COc1ccc2c(c1)OCCC2C(=O)O.NC1CCNCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.41
HTR1A P08908 2/20 0.40
HTR2C P28335 2/20 0.38

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
SCHEMBL5159260 0.93 HTR1A (0.40) PTGDR2HTR1A
SCHEMBL1570633 0.81 PTGDR2 (0.50) PTGDR2HTR1A
SCHEMBL5159385 0.74 MAPT (0.39) HTR2C
SCHEMBL11000702 0.73 HTR1A (0.43) PTGDR2HTR1A
SCHEMBL1845395 0.71 PTGDR2 (0.49) PTGDR2HTR1A
SCHEMBL5156725 0.71 MAPT (0.41) HTR2C
SCHEMBL5160136 0.69 SLC18A3 (0.53) HTR1AHTR2C
SCHEMBL19278108 0.69 PTGDR2 (0.48) PTGDR2
SCHEMBL5162020 0.69 MAPT (0.36) PTGDR2
SCHEMBL5160457 0.69 MAPT (0.38) HTR2C

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-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed