SCHEMBL3422682

SCHEMBL3422682

O=C(N[C@@H]1CCc2ccccc2C1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.50
MTNR1B P49286 5/20 0.50
FAAH O00519 1/20 0.48
HDAC8 Q9BY41 1/20 0.45
HPGDS O60760 2/20 0.45
TAOK1 Q7L7X3 4/20 0.45
TAOK3 Q9H2K8 4/20 0.45
GRM5 P41594 2/20 0.43

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
SCHEMBL3390877 1.00 MTNR1A (0.50) MTNR1AMTNR1BFAAHHDAC8HPGDS
SCHEMBL3803983 0.93 ALDH1A1 (0.47) MTNR1AMTNR1BFAAHHPGDSGRM5
SCHEMBL28044904 0.82 CYP3A4 (0.52) FAAHHPGDS
SCHEMBL3423083 0.82 ALDH1A1 (0.61) MTNR1AMTNR1BHDAC8TAOK1TAOK3
SCHEMBL3394258 0.82 MTNR1A (0.60) MTNR1AMTNR1BHDAC8TAOK1TAOK3
SCHEMBL6515277 0.82 ALDH1A1 (0.61) MTNR1AMTNR1BHDAC8TAOK1TAOK3
SCHEMBL3394439 0.82 MTNR1A (0.60) MTNR1AMTNR1BHDAC8TAOK1TAOK3
SCHEMBL4789249 0.80 KCNH2 (0.56) MTNR1AMTNR1BFAAHHPGDS
SCHEMBL3391913 0.80 GRM5 (0.52) MTNR1AMTNR1BFAAHHDAC8TAOK1
SCHEMBL3393208 0.80 GRM5 (0.52) MTNR1AMTNR1BFAAHHDAC8TAOK1

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 4 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
US-6949556-B2 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-27 US 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