SCHEMBL3428815

SCHEMBL3428815

CCc1cc(OCC2CC2)ccc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.49
PARP15 Q460N3 7/20 0.49
PARP2 Q9UGN5 2/20 0.48
MTNR1A P48039 1/20 0.45
ACACB O00763 3/20 0.44
ACACA Q13085 2/20 0.44
HSD17B1 P14061 1/20 0.44
SCN9A Q15858 2/20 0.44
NR1H4 Q96RI1 2/20 0.41
FFAR1 O14842 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL983929 0.84 PARP10 (0.53) PARP10PARP15PARP2ACACBACACA
SCHEMBL716744 0.81 MAOB (0.55) PARP10PARP15PARP2ACACBACACA
SCHEMBL8651126 0.80 PARP10 (0.48) PARP10PARP15PARP2MTNR1AACACB
SCHEMBL18374257 0.79 PARP10 (0.56) PARP10PARP15PARP2ACACBACACA
SCHEMBL5085580 0.77 PARP10 (0.60) PARP10PARP15MAOB
SCHEMBL22389473 0.77 PARP10 (0.49) PARP10PARP15PARP2MTNR1AACACA
SCHEMBL5730634 0.76 ALDH1A1 (0.62) HSD17B1MAOB
SCHEMBL1390989 0.75 PARP10 (0.53) PARP10PARP15PARP2SCN9ANR1H4
SCHEMBL2087536 0.74 PARP15 (0.70) PARP10PARP15PARP2ACACBNR1H4
SCHEMBL13603957 0.73 HSD17B1 (0.44) HSD17B1MAOB

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-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed