SCHEMBL8577008

SCHEMBL8577008

NCc1ccc(C(=O)N[C@@H](CO)Cc2ccccc2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 10/20 0.49
P2RX7 Q99572 4/20 0.49
P2RX4 Q99571 3/20 0.47
TMPRSS4 Q9NRS4 1/20 0.46
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 3/20 0.44
THRB P10828 1/20 0.42
P2RX3 P56373 1/20 0.42
F3 P13726 1/20 0.42
PTGS1 P23219 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL8577088 0.84 NAMPT (0.45) P2RX1P2RX7P2RX4MAPTRXFP1
SCHEMBL8576416 0.82 P2RX1 (0.42) P2RX1P2RX7P2RX4TMPRSS4MAPT
SCHEMBL8577947 0.78 P2RX1 (0.60) P2RX1P2RX7P2RX4TMPRSS4MAPT
SCHEMBL6791269 0.69 PTGS1 (0.59) PTGS1
SCHEMBL28258728 0.67 P2RX1 (1.00) P2RX1P2RX7P2RX4TMPRSS4P2RX3
SCHEMBL7086952 0.67 PLG (0.53) RXFP1PTGS1
SCHEMBL5666099 0.67 P2RX1 (1.00) P2RX1P2RX7P2RX4TMPRSS4RXFP1
SCHEMBL7608067 0.67 MTTP (0.54) PPARG
SCHEMBL7181703 0.67 P2RX1 (0.72) P2RX1P2RX7P2RX4TMPRSS4RXFP1
SCHEMBL4263109 0.66 P2RX1 (0.77) P2RX1P2RX7P2RX4TMPRSS4P2RX3

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
WO-1998017636-A1 PHENYLALANINOL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-30 WO claimed