SCHEMBL8547874

SCHEMBL8547874

O=C(Cc1cc(Cl)ccc1Cl)N(O)CCc1ccccc1N1CC[C@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.40
NOTUM Q6P988 3/20 0.39
P2RX7 Q99572 2/20 0.37
CCR3 P51677 2/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCR5 P51681 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL8553703 0.87 CCR5 (0.39) NOTUMCCR5DRD2DRD4
SCHEMBL8552339 0.87 NOTUM (0.44) NOTUMP2RX7CCR3HRH1KCNH2
SCHEMBL8551503 0.87 NOTUM (0.41) NOTUMP2RX7CCR3HRH1KCNH2
SCHEMBL8550876 0.86 CCR5 (0.42) CCR3HRH1KCNH2CCR5
SCHEMBL8552451 0.79 CCR5 (0.39) CCR3CCR5
SCHEMBL8551859 0.79 ALOX5 (0.36) DRD2DRD4
SCHEMBL8547882 0.73 CCR5 (0.43) CCR5
SCHEMBL6247724 0.73 TSHR (0.37) NOTUMCCR5
SCHEMBL6249594 0.72 OPRK1 (0.55) P2RX7CCR3HRH1KCNH2CCR5
SCHEMBL16333323 0.72 OPRK1 (0.40)

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