SCHEMBL8285136

SCHEMBL8285136

COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(CCl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.47
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 4/20 0.41
KDM1A O60341 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL8284460 0.92 TRPC5 (0.47) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL8241916 0.89 TRPC5 (0.49) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL8283652 0.87 TRPC5 (0.42) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL8283653 0.86 TRPC5 (0.50) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL8284462 0.85 TRPC5 (0.56) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL14271799 0.84 LMNA (0.41) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL8250145 0.83 TRPC5 (0.54) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL4856873 0.82 LMNA (0.40) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL8285134 0.81 ALDH1A1 (0.38) TRPC5LMNAMAPK1MAPTTSHR
SCHEMBL14007607 0.81 TRPC5 (0.56) TRPC5LMNAMAPK1MAPTTSHR

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-2005058871-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed