SCHEMBL7534269

SCHEMBL7534269

[CH2]CCN(C(N)=O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
PARP10 Q53GL7 2/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
BCL2A1 Q16548 2/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
RNF4 P78317 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PDK2 Q15119 1/20 0.40
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL14577947 0.81 TSHR (0.49) TSHRCA1CA2PARP10PARP1
SCHEMBL7534719 0.80 ALOX5 (0.39) TSHRALOX5TP53SMN1; SMN2
SCHEMBL11156756 0.79 KEAP1 (0.54) TSHRCA1CA2PARP10PARP1
SCHEMBL5682214 0.78 HTT (0.49) TSHRNPC1TP53RAB9ASMN1; SMN2
SCHEMBL11725723 0.76 CA1 (0.43) TSHRCA1CA2PARP10PARP1
SCHEMBL11470004 0.75 DRD2 (0.46) TSHRCA1CA2PARP10PARP1
SCHEMBL3470955 0.73 CA1 (0.55) CA1CA2PARP10PARP1PARP2
SCHEMBL7828136 0.72 TSHR (0.44) TSHRBCL2A1RNF4PDK2ALOX5
SCHEMBL22501255 0.72 CA1 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL5545725 0.72 RPS6KA2 (0.45) TSHRCA1CA2NPC1TP53

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-1200395-A1 UREA DERIVATIVES AS INHIBITORS OF CCR-3 RECEPTOR KIRIN BEER KABUSHIKI KAISHA (JP) 2002-05-02 EP disclosed
WO-2001009088-A1 UREA DERIVATIVES AS INHIBITORS OF CCR-3 RECEPTOR KIRIN BEER KABUSHIKI KAISHA (JP) 2001-02-08 WO disclosed