SCHEMBL5145778

SCHEMBL5145778

Clc1ccc(CN2CCc3cncnc3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.48
LMNA P02545 2/20 0.44
LSS P48449 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
PNMT P11086 1/20 0.38
TP53 P04637 1/20 0.37
CLPP Q16740 3/20 0.37

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
SCHEMBL5144592 0.88 HSP90AB1 (0.49) HSP90AB1LMNAKDM4EALDH1A1TNF
SCHEMBL5145806 0.88 LMNA (0.51) HSP90AB1LMNAKDM4EALDH1A1MAPT
SCHEMBL5145876 0.87 PDE4B (0.42) HSP90AB1LMNALSSALDH1A1MAPT
SCHEMBL5141439 0.86 SIGMAR1 (0.49) LMNAKDM4EALDH1A1MAPTSIGMAR1
SCHEMBL5144627 0.84 ABCB1 (0.53) ALDH1A1TNFNOD2NOD1SIGMAR1
SCHEMBL5141466 0.81 MAPT (0.53) LMNAKDM4EALDH1A1MAPTSIGMAR1
SCHEMBL5142455 0.81 CHRNB2 (0.52) LMNAKDM4EALDH1A1CLPP
SCHEMBL5142466 0.78 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2ACLPP
SCHEMBL4881580 0.78 HSD17B10 (0.35) HSP90AB1LMNALSSMAPT
SCHEMBL6370338 0.76 PNMT (0.40) LMNAPNMT

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