SCHEMBL4415445

SCHEMBL4415445

CCN(CC)CC.CCOC(=O)C(C)(C)c1cc(F)c(F)c(OC(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.44
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 1/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ CHRM2 P08172 2/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ KCNN4 O15554 1/20 0.30

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
SCHEMBL3794184 0.94 CNR2 (0.48) CNR2TSHRRIPK1
SCHEMBL3799616 0.74 CNR2 (0.59) CNR2TSHR
SCHEMBL3800355 0.72 CNR2 (0.44) CNR2
SCHEMBL3797729 0.70 CNR2 (0.45) CNR2TSHR
SCHEMBL8048547 0.70 TSHR (0.39) TSHRHTT
SCHEMBL3141139 0.69 CES2 (0.34) —
SCHEMBL11365709 0.68 ATM (0.44) CNR2
SCHEMBL10179743 0.68 CES2 (0.42) RIPK1
SCHEMBL14035562 0.65 CNR2 (0.45) CNR2TSHR
SCHEMBL31292359 0.65 CNR2 (0.45) CNR2TSHR

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-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 — — EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — WO disclosed
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