SCHEMBL7023937

SCHEMBL7023937

CN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(-c4ccc(O)cc4)cc2)CC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
KCNH2 Q12809 4/20 0.49
SCN9A Q15858 4/20 0.49
SCN5A Q14524 3/20 0.49
KMT2A Q03164 4/20 0.43
WDR5 P61964 2/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FYN P06241 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL7026055 1.00 MTNR1A (0.51) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7030407 0.97 MTNR1A (0.54) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7030412 0.97 MTNR1A (0.54) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7031008 0.93 MTNR1A (0.57) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7031005 0.93 MTNR1A (0.57) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7020766 0.89 TAOK1 (0.55) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7020774 0.89 TAOK1 (0.55) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7027929 0.88 MTNR1A (0.65) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7027930 0.88 MTNR1A (0.65) MTNR1AMTNR1BMAPK1POLBKCNH2
SCHEMBL7026015 0.88 MTNR1A (0.53) MTNR1AMTNR1BMAPK1POLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US claimed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US disclosed