SCHEMBL3264786

SCHEMBL3264786

CC(C)(C)OC(=O)N1CC(Oc2ccccc2F)CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.43
AGTR2 P50052 2/20 0.43
MCL1 Q07820 10/20 0.42
CCKBR P32239 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
HTRA1 Q92743 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL3264785 1.00 UCHL1 (0.43) UCHL1AGTR2MCL1CCKBRGRIN1
SCHEMBL5150050 0.89 CCKBR (0.47) UCHL1MCL1CCKBRGRIN1GRIN2B
SCHEMBL3188809 0.89 NR1H2 (0.43) UCHL1MCL1GRIN1GRIN2BHTRA1
SCHEMBL13481242 0.89 NR1H2 (0.43) UCHL1MCL1GRIN1GRIN2BHTRA1
SCHEMBL8339060 0.89 NR1H2 (0.43) UCHL1MCL1GRIN1GRIN2BHTRA1
SCHEMBL24739556 0.89 NR1H2 (0.43) UCHL1MCL1GRIN1GRIN2BHTRA1
SCHEMBL16369937 0.86 MCL1 (0.43) UCHL1MCL1HTRA1
SCHEMBL16370639 0.86 MCL1 (0.43) UCHL1MCL1HTRA1
SCHEMBL16369939 0.86 MCL1 (0.43) UCHL1MCL1HTRA1
SCHEMBL28722395 0.85 GPR119 (0.42) UCHL1MCL1CCKBRGPR119

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659305-B2 4-carbo- or heterocyclic alkyl-, oxy-, amino-, and thio-substituted; e.g., 2S, 4S)-4-(3-Chloro-phenoxy)-pyrrolidine-2-carboxylic acid; controlling neurotransmitter release; uses include general treatment of pain, particularly neuropathic pain. PFIZER INC. (US) 2010-02-09 US disclosed