SCHEMBL8552339

SCHEMBL8552339

O=C(Cc1cccc(Cl)c1Cl)N(O)CCc1ccccc1N1CC[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.44
P2RX7 Q99572 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
CCR5 P51681 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
PTPN11 Q06124 2/20 0.35
CCR3 P51677 2/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR2 P34972 2/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL8551503 0.92 NOTUM (0.41) NOTUMP2RX7SIGMAR1CCR3HRH1
SCHEMBL8547874 0.87 GPBAR1 (0.40) NOTUMP2RX7CCR5DRD2CCR3
SCHEMBL8553703 0.86 CCR5 (0.39) NOTUMSIGMAR1CCR5DRD2KCNQ2
SCHEMBL8550876 0.85 CCR5 (0.42) SIGMAR1CCR5CCR3HRH1KCNH2
SCHEMBL8552451 0.82 CCR5 (0.39) SIGMAR1CCR5CCR3
SCHEMBL8551859 0.79 ALOX5 (0.36) DRD2
SCHEMBL16333323 0.74 OPRK1 (0.40) SIGMAR1
SCHEMBL8701795 0.74 LTB4R (0.43) SIGMAR1CCR5
SCHEMBL8552270 0.73 SLC6A2 (0.43) CCR5KCNH2
SCHEMBL16333376 0.71 SIGMAR1 (0.57) SIGMAR1

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-0817772-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1998-01-14 EP claimed