SCHEMBL4789617

SCHEMBL4789617

O=C(NCCN1CCN(Cc2ccccc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.44
BCHE P06276 4/20 0.44
MAPT P10636 1/20 0.43
FAAH O00519 5/20 0.43
BDKRB1 P46663 1/20 0.42
MCHR2 Q969V1 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL4705843 0.92 BDKRB1 (0.44) BDKRB1
SCHEMBL4703878 0.91 BDKRB1 (0.44) MAPTBDKRB1
SCHEMBL4703557 0.91 BDKRB1 (0.49) BDKRB1
SCHEMBL4705015 0.90 HTT (0.51) MAPT
SCHEMBL4704254 0.88 BDKRB1 (0.47) MAPTBDKRB1
SCHEMBL6046007 0.88 BDKRB1 (0.47) ACHEBCHEMAPTFAAHBDKRB1
SCHEMBL4702492 0.87 BDKRB1 (0.52) BDKRB1
SCHEMBL4701432 0.86 BDKRB1 (0.48) BDKRB1MCHR1
SCHEMBL4700955 0.85 SIGMAR1 (0.48)
SCHEMBL4702407 0.85 BCL3 (0.47)

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