SCHEMBL8669153

SCHEMBL8669153

CCCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 5/20 0.58
ERAP1 Q9NZ08 4/20 0.58
IL1RN P18510 4/20 0.58
TACR1 P25103 10/20 0.57
NMBR P28336 2/20 0.57
LNPEP Q9UIQ6 3/20 0.57
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL8669151 0.89 MEN1 (0.58) NMBR
SCHEMBL6264591 0.89 BCHE (0.56) TACR1NMBRMAPT
SCHEMBL28260558 0.86 MEN1 (0.66) ERAP2ERAP1IL1RNTACR1LNPEP
SCHEMBL28260561 0.86 MEN1 (0.66) ERAP2ERAP1IL1RNTACR1LNPEP
SCHEMBL3848569 0.86 MEN1 (0.63) MAPT
SCHEMBL3848966 0.86 MEN1 (0.63) MAPT
SCHEMBL3848969 0.86 MEN1 (0.63) MAPT
SCHEMBL8227227 0.85 MEN1 (0.64) ERAP2ERAP1IL1RNTACR1LNPEP
SCHEMBL6245123 0.85 MEN1 (0.62) MAPT
SCHEMBL6244061 0.85 MEN1 (0.62) MAPT

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-0708771-B1 BENZYLOXYQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS PFIZER (US) 1998-10-07 EP disclosed