SCHEMBL5789345

SCHEMBL5789345

NCC[C@H]1CCCCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CCR2 P41597 12/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10706616 1.00 HTT (0.38) HTTCCR2KDM4EALDH1A1
SCHEMBL18077368 0.94 L3MBTL1 (0.38) HTTCCR2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL320459 0.92 L3MBTL1 (0.37) HTTCCR2KDM4EALDH1A1
SCHEMBL10707479 0.91 HTT (0.36) HTTCCR2KDM4EALDH1A1
SCHEMBL9450933 0.89 SIGMAR1 (0.40) HTTCCR2
SCHEMBL318758 0.88
SCHEMBL1579752 0.88
SCHEMBL17144672 0.85 L3MBTL1 (0.35) HTTCCR2KDM4EALDH1A1
SCHEMBL17144305 0.85 L3MBTL1 (0.35) HTTCCR2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4200469 0.84 HTT (0.38) HTTCCR2KDM4EALDH1A1

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-1633348-A1 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 Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed