SCHEMBL5144592

SCHEMBL5144592

Fc1ccc(CN2CCc3cncnc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.49
KMT2A Q03164 2/20 0.49
ABCB1 P08183 1/20 0.46
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
RAB9A P51151 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
DRD2 P14416 2/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKAA2 P54646 2/20 0.40

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
SCHEMBL5145778 0.88 HSP90AB1 (0.48) HSP90AB1KMT2AMEN1TNFNOD2
SCHEMBL5145806 0.86 LMNA (0.51) HSP90AB1KMT2AMEN1NOD1KDM4E
SCHEMBL5145876 0.86 PDE4B (0.42) HSP90AB1KMT2ATSHRMEN1RAB9A
SCHEMBL5142466 0.85 ALDH1A1 (0.48) KMT2ATSHRMEN1DRD2KCNH2
SCHEMBL5144627 0.83 ABCB1 (0.53) KMT2AABCB1TNFNOD2NOD1
SCHEMBL5142455 0.80 CHRNB2 (0.52) TSHRDRD2KCNH2KDM4ELMNA
SCHEMBL5141439 0.80 SIGMAR1 (0.49) KMT2AMEN1RAB9ADRD2KDM4E
SCHEMBL5145737 0.79 ALDH1A1 (0.46) KMT2ATSHRMEN1KDM4EUSP2
SCHEMBL5141466 0.77 MAPT (0.53) KMT2ATSHRMAPK1MEN1RAB9A
SCHEMBL6370338 0.75 PNMT (0.40) DRD2KCNH2LMNAPIK3CA

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-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed