SCHEMBL27852995

SCHEMBL27852995

O=C(O)CN1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 11/20 0.56
▸ ATM Q13315 4/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36

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
SCHEMBL27965460 0.91 PLG (0.45) PLGCCR3GABRA1GABRG2GABRB3
SCHEMBL27852916 0.91 PLG (0.55) PLGATMGABRA1GABRG2GABRB3
SCHEMBL27965499 0.90 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL27965394 0.90 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL27853055 0.89 PLG (0.58) PLGGABRA1GABRG2GABRB3
SCHEMBL27853064 0.89 PLG (0.44) PLG
SCHEMBL27965386 0.88 PLG (0.41) PLGGABRA1GABRG2GABRB3
SCHEMBL27965393 0.87 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL27965479 0.87 PLG (0.45) PLGSLC6A4GABRA1GABRG2GABRB3
SCHEMBL27853079 0.87 PLG (0.42) PLG

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
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 — — CN disclosed
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 — — CN disclosed
Send feedback