SCHEMBL8199050

SCHEMBL8199050

CCOC(=O)COc1ccc(CCN(C)C2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.40
LTA4H P09960 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
ACKR3 P25106 2/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL8205282 0.86 CHRM3 (0.45)
SCHEMBL8209731 0.86 HRH1 (0.39) L3MBTL1
SCHEMBL8199247 0.86 AGTR2 (0.42) L3MBTL1
SCHEMBL8199191 0.84 CHRM2 (0.38) L3MBTL1
SCHEMBL8199092 0.83 KMT2A (0.40)
SCHEMBL8205356 0.83 CHIT1 (0.41) POLBGAANPSR1
SCHEMBL8199054 0.82 POLB (0.43) ESR1LTA4HALDH1A1MAPTATM
SCHEMBL8208772 0.81 CHRM3 (0.45) L3MBTL1POLB
SCHEMBL8211307 0.81 CHRM5 (0.40) L3MBTL1ACKR3
SCHEMBL8209743 0.81 SLC18A3 (0.43) L3MBTL1ALDH1A1POLB

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-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed