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SCHEMBL587340

SCHEMBL587340

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(OC(F)(F)F)cc1.O=c1cc([C@H]2CCN[C@H](Cc3ccc(OC(F)(F)F)cc3)C2)o[nH]1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 12/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL582594 0.93 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2
SCHEMBL587616 0.93 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2
SCHEMBL581900 0.93 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2
SCHEMBL586984 0.93 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2
SCHEMBL586956 0.88 PLG (0.56) PLG
SCHEMBL586955 0.88 PLG (0.56) PLG
SCHEMBL586957 0.88 PLG (0.56) PLG
SCHEMBL581961 0.87 PLG (0.53) PLG
Acetic Acid SCHEMBL27853076 0.85 PLG (0.66) PLGHTR2CCCNA2CDK2CCNA1
Acetic Acid SCHEMBL27853134 0.85 PLG (0.66) PLGHTR2CCCNA2CDK2CCNA1

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-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 — — EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed