SCHEMBL19132985

SCHEMBL19132985

Cc1csc(C(C)CCc2cc(C(C)C)ccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.36
▸ SREBF2 Q12772 13/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ATM Q13315 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ SREBF1 P36956 1/20 0.32

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
SCHEMBL20143958 0.75 LMNA (0.40) ALDH1A1LMNAHRH1
SCHEMBL12394763 0.74 HRH4 (0.40) ALDH1A1KDM4ELMNA
SCHEMBL24868449 0.71 ALDH1A1 (0.34) ALDH1A1KDM4ELMNA
SCHEMBL22291830 0.71 CHRM1 (0.31) CHRM1HRH1KCNH2
SCHEMBL13533992 0.69 KDM4E (0.50) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL21011913 0.69 SMN1; SMN2 (0.38) CACNA2D1MAPTL3MBTL1ALDH1A1CHRM1
SCHEMBL23075056 0.69 SPHK2 (0.37) CACNA2D1L3MBTL1KDM4ELMNACHRM1
SCHEMBL19706016 0.68 SLC6A3 (0.40) MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL3549889 0.68 GRM5 (0.36) CACNA2D1MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL20280911 0.68 HRH1 (0.46) SREBF2L3MBTL1ALDH1A1KDM4ELMNA

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-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 — — US disclosed
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