SCHEMBL327469

SCHEMBL327469

CC(N)CCc1nnnn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRMT1 Q99873 5/20 0.38
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NOTUM Q6P988 1/20 0.35
HSD11B1 P28845 3/20 0.35
TLR8 Q9NR97 1/20 0.35
KCNH2 Q12809 1/20 0.34
P2RX7 Q99572 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL25245135 0.79 LMNA (0.44) LMNAL3MBTL1ALDH1A1NPSR1PRMT1
SCHEMBL15169039 0.77 LMNA (0.49) LMNAL3MBTL1ALDH1A1NPSR1PRMT1
SCHEMBL324352 0.76 ALDH1A1 (0.64) LMNAL3MBTL1ALDH1A1NPSR1PRMT1
SCHEMBL2090301 0.75 ALDH1A1 (0.47) LMNAL3MBTL1ALDH1A1NPSR1PRMT1
SCHEMBL15167749 0.73 SIGMAR1 (0.42) LMNAL3MBTL1ALDH1A1NPSR1KCNH2
SCHEMBL15167746 0.73 SIGMAR1 (0.42) LMNAL3MBTL1ALDH1A1NPSR1KCNH2
SCHEMBL15169147 0.73 PRMT1 (0.51) LMNAL3MBTL1ALDH1A1NPSR1PRMT1
SCHEMBL2090299 0.72 PKM (0.49) LMNAL3MBTL1ALDH1A1NPSR1PRMT1
SCHEMBL25236543 0.72 LMNA (0.57) LMNAMAPT
Hydrochloric Acid SCHEMBL16192657 0.72 PRMT1 (0.50) LMNAL3MBTL1ALDH1A1NPSR1PRMT1

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-2590953-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2013-05-15 EP disclosed
WO-2012004604-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2012-01-12 WO disclosed