SCHEMBL6866804

SCHEMBL6866804

COc1cccc(CNC(=S)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
HTT P42858 1/20 0.60
MCHR1 Q99705 2/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK14 Q16539 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
SCHEMBL6866808 1.00 LMNA (0.60) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6875718 0.91 PKM (0.45) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6875715 0.91 PKM (0.45) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6879419 0.89 MCHR1 (0.46) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6879414 0.89 MCHR1 (0.46) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6875063 0.88 MCHR1 (0.47) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6875980 0.88 ALOX12 (0.56) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6874444 0.88 BCHE (0.46) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6875977 0.88 ALOX12 (0.56) LMNAPKMHTTMCHR1ADRA2A
SCHEMBL6875068 0.88 MCHR1 (0.47) LMNAPKMHTTMCHR1ADRA2A

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