SCHEMBL23893554

SCHEMBL23893554

CC(C)Cn1c(-c2ccccc2)cc2ccc(OC(C)C(C)(C)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
BACE1 P56817 4/20 0.42
KDM4E B2RXH2 8/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 8/20 0.39
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 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
SCHEMBL26298661 0.83 MTNR1A (0.43) MTNR1AMTNR1BBACE1KDM4EL3MBTL1
SCHEMBL23395720 0.82 MTNR1A (0.41) MTNR1AMTNR1BBACE1KDM4EL3MBTL1
SCHEMBL21735533 0.82 GRIK1 (0.58) MTNR1AMTNR1BBACE1KDM4EL3MBTL1
SCHEMBL26292361 0.81 MTNR1A (0.46) MTNR1AMTNR1BBACE1KDM4EL3MBTL1
SCHEMBL23893479 0.77 MTNR1A (0.46) MTNR1AMTNR1BBACE1KDM4EL3MBTL1
SCHEMBL23893476 0.77 MTNR1A (0.41) MTNR1AMTNR1BBACE1KDM4EL3MBTL1
SCHEMBL21735542 0.76 BACE1 (0.51) MTNR1AMTNR1BBACE1L3MBTL1ALDH1A1
SCHEMBL22630103 0.76 MTNR1A (0.40) MTNR1AMTNR1BBACE1KDM4EL3MBTL1
SCHEMBL21735706 0.76 MTNR1A (0.40) MTNR1AMTNR1BBACE1KDM4EL3MBTL1
SCHEMBL23395710 0.75 MTNR1A (0.40) MTNR1AMTNR1BBACE1KDM4EL3MBTL1

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-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed