SCHEMBL28749005

SCHEMBL28749005

CCc1cc2c(cc1CC)CC(NC(=O)c1ccccc1)C2.CCc1cc2c(cc1CC)CC(NCc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.56
HSD17B10 Q99714 1/20 0.48
HDAC1 Q13547 1/20 0.47
SMYD3 Q9H7B4 1/20 0.44
APOB P04114 1/20 0.44
MTTP P55157 1/20 0.44
GRIN2B Q13224 1/20 0.43
SMO Q99835 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
SSTR3 P32745 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
NR1H2 P55055 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
SCHEMBL867756 0.90 NPSR1 (0.48) SMYD3APOBKMT2AMEN1POLB
SCHEMBL866767 0.87 FYN (0.67) FYNHDAC1APOBMTTPGRIN2B
SCHEMBL5439855 0.73 NPC1 (0.56) SMYD3KMT2AMEN1MAPT
SCHEMBL3834622 0.70 GRIN2B (0.77) FYNHDAC1GRIN2BKMT2AMEN1
SCHEMBL26537824 0.70 GRM5 (0.66) SSTR3
Hydrochloric Acid SCHEMBL10446804 0.69 GRIN2B (0.74) FYNGRIN2BKMT2AMEN1
SCHEMBL865974 0.68 FYN (0.69) FYNHDAC1GRIN2BKMT2AMEN1
Hydrochloric Acid SCHEMBL10447028 0.68 FYN (0.63) FYNGRIN2BKMT2AMEN1POLB
SCHEMBL6359692 0.68 CA1 (0.58) KMT2AMEN1MAPT
SCHEMBL28198558 0.67 MEN1 (0.56) HSD17B10HDAC1SMYD3KMT2AMEN1

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
CN-1353692-A Betz 2-adrenoceptor agonists NOVARTIS AG (CH) 2002-06-12 CN disclosed