SCHEMBL5159260

SCHEMBL5159260

COc1ccc2c(c1)C(C(=O)O)CCO2.NC1CCNCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
PTGDR2 Q9Y5Y4 13/20 0.40
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39

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
SCHEMBL5159629 0.93 PTGDR2 (0.41) HTR1APTGDR2
SCHEMBL1845395 0.81 PTGDR2 (0.49) HTR1APTGDR2
SCHEMBL5159385 0.72 MAPT (0.39)
SCHEMBL1570633 0.71 PTGDR2 (0.50) HTR1APTGDR2
SCHEMBL5162020 0.71 MAPT (0.36) PTGDR2
SCHEMBL5156725 0.71 MAPT (0.41)
SCHEMBL5160136 0.69 SLC18A3 (0.53) HTR1A
SCHEMBL15016437 0.69 CYP19A1 (0.53) HTR1A
SCHEMBL5160457 0.69 MAPT (0.38)
SCHEMBL5159504 0.69 MAPT (0.40)

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 4 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 claimed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
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