SCHEMBL5133971

SCHEMBL5133971

O=c1nnc2ccc(Cl)cc2n1CCN1CC[CH]CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.43
KMO O15229 1/20 0.38
KCNH2 Q12809 2/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
MAT2A P31153 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL706495 0.84 TMEM97 (0.41) TMEM97KMOKCNH2
SCHEMBL923788 0.79 CNR2 (0.43) KMOKCNH2
SCHEMBL707920 0.77 TACR1 (0.38) TMEM97KMOKCNH2
SCHEMBL27773476 0.76 KCNH2 (0.50) KCNH2
SCHEMBL921242 0.72 KCNH2 (0.64) KCNH2
Hydrochloric Acid SCHEMBL4298769 0.66 KCNH2 (0.45) KCNH2
SCHEMBL11711208 0.66 TMEM97 (0.42) TMEM97
SCHEMBL4776915 0.66 KCNH2 (0.47) KCNH2
SCHEMBL4777392 0.62 KCNH2 (0.38) KCNH2
SCHEMBL707012 0.61 TMEM97 (0.38) TMEM97KCNH2GRIN1GRIN2B

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-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed