SCHEMBL4246267

SCHEMBL4246267

CC1CCN(C(=O)O)c2nc(CCO)ccc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.37
DRD2 P14416 7/20 0.37
RXRA P19793 3/20 0.31
RXRB P28702 3/20 0.31
RXRG P48443 3/20 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
SCHEMBL3140159 0.72 SMN1; SMN2 (0.38)
SCHEMBL29196629 0.64
SCHEMBL20571402 0.60 GAA (0.48)
SCHEMBL20571985 0.60 MEN1 (0.38) HTR2A
SCHEMBL20571349 0.59 HTT (0.30)
SCHEMBL20571152 0.59 KDM4E (0.36)
SCHEMBL23722449 0.59 ITGAV (0.33)
SCHEMBL20141262 0.59 FGFR4 (0.39)
Ammonia Solution, Strong SCHEMBL28819769 0.59 PIK3CD (0.40)
Methacrylic Acid SCHEMBL23648352 0.59 NPSR1 (0.46)

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-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed