SCHEMBL845135

SCHEMBL845135

Cc1c(F)ccc2cc(CCN)c(N3CCN(C(N)=O)CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.38
PIK3CD O00329 4/20 0.37
HRH4 Q9H3N8 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
IKBKB O14920 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EIF2AK2 P19525 1/20 0.34
CYP3A4 P08684 1/20 0.33
ABCC1 P33527 1/20 0.33

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
SCHEMBL2116019 0.83 PIK3CD (0.46) OPRK1PIK3CDHRH4ALDH1A1
SCHEMBL2117490 0.80 OPRK1 (0.38) OPRK1HRH4HTR1AHTR2AHTR7
SCHEMBL2117487 0.80 OPRK1 (0.38) OPRK1HRH4HTR1AHTR2AHTR7
SCHEMBL7494 0.78 KDM4E (0.44) OPRK1LMNAKDM4EALDH1A1
SCHEMBL2113713 0.72 OPRK1 (0.38) OPRK1PIK3CDHRH4ALDH1A1
SCHEMBL2113711 0.72 OPRK1 (0.38) OPRK1PIK3CDHRH4ALDH1A1
SCHEMBL14481093 0.72 HPGD (0.39) OPRK1LMNAMAPT
SCHEMBL14481092 0.72 HPGD (0.39) OPRK1LMNAMAPT
SCHEMBL2114085 0.71 OPRK1 (0.34) OPRK1PIK3CD
SCHEMBL15900051 0.70 PIK3CD (0.38) PIK3CD

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-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed