SCHEMBL7336394

SCHEMBL7336394

O=C(O)Cc1ccc(Oc2ccccn2)cc1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PTGS2 P35354 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PSEN1 P49768 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
DRD1 P21728 1/20 0.39
BRS3 P32247 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CXCL8 P10145 1/20 0.38
BLM P54132 1/20 0.37
SCN7A Q01118 2/20 0.37
KCNH2 Q12809 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37

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
SCHEMBL7332593 0.88 CYP1A2 (0.40) PTGS2PTGESALOX5PSEN1DRD1
SCHEMBL7334308 0.81 PTGS2 (0.43) PTGS2PTGESALOX5PSEN1DRD1
SCHEMBL8081374 0.81 SMN1; SMN2 (0.46) CAMK2AEGLN2EGLN1BRS3LMNA
SCHEMBL8092961 0.77 KDM4E (0.45) CAMK2ANPSR1KDM4EMEN1MAPT
SCHEMBL8092956 0.75 KDM4E (0.40) CAMK2ANPSR1KDM4EMEN1S1PR2
SCHEMBL4611564 0.75 CXCL8 (0.56) CAMK2ACXCL8KDM4EMAPT
SCHEMBL7333637 0.74 CXCL8 (0.55) NPSR1CXCL8MEN1S1PR2S1PR4
SCHEMBL8081337 0.73 CAMK2A (0.56) CAMK2ATHRBNPSR1CXCL8KDM4E
SCHEMBL7340892 0.73 RXRA (0.47) PSEN1KDM4EMAPTHTTPPARG
SCHEMBL7344505 0.73 CXCL8 (0.44) CAMK2ANPSR1CXCL8KDM4EMEN1

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
US-5968938-A Piperazine oxytocin receptor antagonists MERCK & CO., INC. (US) 1999-10-19 US disclosed