SCHEMBL6695963

SCHEMBL6695963

Cc1c(N)cccc1C(=O)N1CCCN(CC2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 2/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
CNR1 P21554 5/20 0.44
PARP1 P09874 2/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
GRIN2B Q13224 1/20 0.42
GAA P10253 1/20 0.41
KDM2B Q8NHM5 1/20 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
SCHEMBL6695959 0.88 LMNA (0.47) LMNAHTTFNTAFNTBCNR1
SCHEMBL31496743 0.81 HTT (0.54) CHRM2LMNAHTTFNTAFNTB
SCHEMBL2380021 0.80 FNTA (0.52) CHRM2LMNAHTTFNTAFNTB
SCHEMBL11077147 0.79 HTT (0.53) CHRM2HTTMAPTKDM4EALDH1A1
SCHEMBL6688452 0.77 PARP1 (0.48) PARP1MAPTKDM4EALDH1A1TP53
SCHEMBL2378330 0.76 L3MBTL1 (0.55) CHRM2LMNAHTTFNTAFNTB
SCHEMBL6691901 0.74 CCR2 (0.47) LMNAPARP1MAPTTP53TSHR
SCHEMBL6688446 0.73 PARP1 (0.46) HTTCNR1PARP1MAPTALDH1A1
SCHEMBL19457202 0.72 HTT (0.66) LMNAHTTKDM4EALDH1A1TSHR
SCHEMBL2377252 0.72 ALDH1A1 (0.55) HTTKDM4EALDH1A1TP53TSHR

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
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed