Sugi Predict

Sugi Predict / Compounds / SCHEMBL4700946

SCHEMBL4700946

SCHEMBL4700946

CC(C)c1ccc(-n2nc(OC(=O)NCCC3CCN(c4ccncc4)CC3)cc2NC(=O)c2ccccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 16/20 0.57
▸ GRM5 P41594 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ CHRM4 P08173 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
SCHEMBL4704252 0.93 BDKRB1 (0.64) BDKRB1GRM5NTRK1CHRM4
SCHEMBL4700707 0.91 BDKRB1 (0.57) BDKRB1GRM5NTRK1CHRM4
SCHEMBL4700959 0.91 BDKRB1 (0.57) BDKRB1GRM5CHRM4
SCHEMBL6045985 0.88 BDKRB1 (0.60) BDKRB1NTRK1
SCHEMBL4702570 0.88 BDKRB1 (0.65) BDKRB1MEN1KMT2A
SCHEMBL4705201 0.87 BDKRB1 (0.66) BDKRB1MEN1KMT2ACHRM4
SCHEMBL4706708 0.86 BDKRB1 (0.55) BDKRB1KMT2ANTRK1CHRM4
SCHEMBL4702923 0.85 BDKRB1 (0.68) BDKRB1CHRM4
SCHEMBL4702467 0.81 BDKRB1 (0.65) BDKRB1
SCHEMBL6046064 0.81 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