SCHEMBL7024650

SCHEMBL7024650

CCOc1ccccc1C(=O)N[C@@H]1CCc2cccc(N3CCN(C)CC3)c2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.50
MTNR1B P49286 5/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
HTR7 P34969 7/20 0.49
USP2 O75604 1/20 0.49
HTR1A P08908 1/20 0.49
HTR6 P50406 1/20 0.49
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
HCN1 O60741 1/20 0.48
HCN4 Q9Y3Q4 1/20 0.48

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
SCHEMBL7024651 1.00 MTNR1A (0.50) MTNR1AMTNR1BDRD2DRD4HTR7
SCHEMBL7483377 0.92 KCNH2 (0.53) MTNR1AMTNR1BDRD2DRD4HTR7
SCHEMBL7029144 0.86 MTNR1A (0.49) MTNR1AMTNR1BDRD2DRD4HTR1A
SCHEMBL7029145 0.86 MTNR1A (0.49) MTNR1AMTNR1BDRD2DRD4HTR1A
SCHEMBL7024074 0.84 MTNR1A (0.47) MTNR1AMTNR1BDRD2DRD4CYP1A2
SCHEMBL7023560 0.84 NPC1 (0.48) MTNR1AMTNR1BDRD2DRD4ALOX15
SCHEMBL7023556 0.84 NPC1 (0.48) MTNR1AMTNR1BDRD2DRD4ALOX15
SCHEMBL7024065 0.84 MTNR1A (0.47) MTNR1AMTNR1BDRD2DRD4CYP1A2
SCHEMBL7027930 0.81 MTNR1A (0.65) MTNR1AMTNR1BDRD2DRD4
SCHEMBL7027929 0.81 MTNR1A (0.65) MTNR1AMTNR1BDRD2DRD4

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 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
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO disclosed