SCHEMBL3391773

SCHEMBL3391773

COc1ccc2c(c1)CC(NC(=O)c1ccc(F)cc1)CC2.O=C(N[C@H]1CCc2ccccc2C1)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.63
MTNR1B P49286 3/20 0.63
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
ACHE P22303 3/20 0.59
DRD4 P21917 2/20 0.52
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
TAOK3 Q9H2K8 4/20 0.51
TAOK1 Q7L7X3 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MCHR1 Q99705 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49

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
SCHEMBL5526850 0.96 MTNR1A (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6523015 0.96 MTNR1A (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3395108 0.93 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL2079654 0.89 KMT2A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5522805 0.86 MTNR1A (0.60) MTNR1AMTNR1BTAOK3TAOK1KMT2A
SCHEMBL3392060 0.86 MTNR1A (0.60) MTNR1AMTNR1BTAOK3TAOK1KMT2A
SCHEMBL3390898 0.86 MTNR1A (0.60) MTNR1AMTNR1BTAOK3TAOK1KMT2A
SCHEMBL6513612 0.80 MTNR1A (0.70) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10253556 0.80 MTNR1A (0.61) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6513609 0.80 MTNR1A (0.70) MTNR1AMTNR1BCA1CA2ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP disclosed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO disclosed