SCHEMBL4717342

SCHEMBL4717342

O=C(c1ccccc1)N(CCC1CCN(c2ccncc2)CC1)c1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.50
NAMPT P43490 1/20 0.39
F10 P00742 2/20 0.38
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
LSS P48449 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
SCHEMBL4712466 0.79 ACHE (0.50) ACHEF10HTR1ADRD4
SCHEMBL3440253 0.78 ACHE (0.63) ACHE
SCHEMBL4716488 0.73 CD274 (0.50) ACHENAMPTF10
SCHEMBL4717344 0.70 BDKRB1 (0.51) NAMPTF10
SCHEMBL785872 0.68 ACHE (0.46) ACHEF10LSS
SCHEMBL12043784 0.67 ACHE (1.00) ACHE
SCHEMBL4713068 0.66 BDKRB1 (0.47) NAMPTF10
SCHEMBL8125687 0.66 TPSAB1 (0.50) F10HTR1ALSS
SCHEMBL5177805 0.66 MAPT (0.44) ACHEF10LSS
SCHEMBL786054 0.65 ACHE (0.47) ACHE

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-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed