SCHEMBL319772

SCHEMBL319772

C=C1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR119 Q8TDV5 6/20 0.39
RECQL P46063 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL14239663 0.86 USP2 (0.45) USP2SMN1; SMN2GPR119RECQLALOX15
SCHEMBL31735318 0.86 USP2 (0.42) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL319828 0.85 USP2 (0.48) USP2SMN1; SMN2GPR119RECQLHRH3
SCHEMBL18053621 0.81 USP2 (0.59) USP2SMN1; SMN2GPR119RECQLALOX15
SCHEMBL2428542 0.80 USP2 (0.46) USP2SMN1; SMN2GPR119RECQLDDB1
SCHEMBL139940 0.79 MGLL (0.32)
SCHEMBL17760306 0.78 USP2 (0.46) USP2SMN1; SMN2GPR119RECQLDDB1
SCHEMBL4278413 0.77 USP2 (0.54) USP2SMN1; SMN2GPR119RECQLHRH3
SCHEMBL156363 0.77 USP2 (0.56) USP2SMN1; SMN2GPR119RECQLHPGD
SCHEMBL31685221 0.76 USP2 (0.43) USP2SMN1; SMN2GPR119RECQLALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
EP-2590985-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2013-05-15 EP disclosed
WO-2012004400-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-01-12 WO disclosed