SCHEMBL6875779

SCHEMBL6875779

COc1ccc(OC)c(CCNC(=S)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43
MCHR1 Q99705 2/20 0.40
ADRA2A P08913 1/20 0.40
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
CHRM1 P11229 1/20 0.38
BACE1 P56817 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 1/20 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
SCHEMBL6875783 1.00 LMNA (0.44) LMNAMAPTSMN1; SMN2TP53MCHR1
SCHEMBL6869003 0.88 SMN1; SMN2 (0.51) LMNAMAPTSMN1; SMN2ACHEBCHE
SCHEMBL6868999 0.88 SMN1; SMN2 (0.51) LMNAMAPTSMN1; SMN2ACHEBCHE
SCHEMBL6873448 0.84 MEN1 (0.48) LMNAMAPTTP53MCHR1ADRA2A
SCHEMBL6873456 0.84 MEN1 (0.48) LMNAMAPTTP53MCHR1ADRA2A
SCHEMBL6878924 0.84 L3MBTL1 (0.46) LMNAMAPTTP53MCHR1ADRA2A
SCHEMBL6878919 0.84 L3MBTL1 (0.46) LMNAMAPTTP53MCHR1ADRA2A
SCHEMBL5523191 0.84 MCHR1 (0.60) LMNAMCHR1ADRA2AACHEBCHE
SCHEMBL5523189 0.84 MCHR1 (0.60) LMNAMCHR1ADRA2AACHEBCHE
SCHEMBL6460300 0.83 ALDH1A1 (0.45) LMNAMAPTSMN1; SMN2TP53MCHR1

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed