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Sugi Predict / Compounds / SCHEMBL4700707

SCHEMBL4700707

SCHEMBL4700707

O=C(NCCC1CCN(c2ccncc2)CC1)Oc1cc(NC(=O)c2ccccc2Cl)n(-c2ccc(F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 13/20 0.57
▸ CHRM4 P08173 3/20 0.44
▸ F10 P00742 1/20 0.42
▸ GRM5 P41594 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ NTRK1 P04629 1/20 0.39

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
SCHEMBL4704252 0.94 BDKRB1 (0.64) BDKRB1CHRM4GRM5CHRM2NTRK1
SCHEMBL4700959 0.92 BDKRB1 (0.57) BDKRB1CHRM4F10GRM5
SCHEMBL4700946 0.91 BDKRB1 (0.57) BDKRB1CHRM4GRM5NTRK1
SCHEMBL4706708 0.89 BDKRB1 (0.55) BDKRB1CHRM4F10CHRM2NTRK1
SCHEMBL4705201 0.88 BDKRB1 (0.66) BDKRB1CHRM4F10
SCHEMBL6046091 0.88 BDKRB1 (0.62) BDKRB1NTRK1
SCHEMBL4702570 0.88 BDKRB1 (0.65) BDKRB1
SCHEMBL4702578 0.84 BDKRB1 (0.62) BDKRB1CHRM4F10NTRK1
SCHEMBL4704946 0.84 BDKRB1 (0.70) BDKRB1CHRM4F10CHRM2
SCHEMBL6046064 0.82 BDKRB1 (0.70) BDKRB1NTRK1

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-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 — — EP claimed