SCHEMBL7023936

SCHEMBL7023936

CN1CCN(c2cccc3c2CC(NC(=O)c2cccc(Oc4ccccc4)c2)CC3)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
PKM P14618 1/20 0.54
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.47
KCNH2 Q12809 2/20 0.46
SCN9A Q15858 2/20 0.46
SCN5A Q14524 1/20 0.46
CCR3 P51677 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
MCHR1 Q99705 1/20 0.44
USP30 Q70CQ3 2/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
LMNA P02545 2/20 0.43
WDR5 P61964 1/20 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
SCHEMBL7023930 1.00 NPC1 (0.56) NPC1MTNR1AMTNR1BPKMALDH1A1
SCHEMBL7024175 0.93 NPC1 (0.56) NPC1MTNR1AMTNR1BPKMALDH1A1
SCHEMBL7024171 0.93 NPC1 (0.56) NPC1MTNR1AMTNR1BPKMALDH1A1
SCHEMBL7025166 0.93 NPC1 (0.56) NPC1MTNR1AMTNR1BPKMALDH1A1
SCHEMBL7027929 0.89 MTNR1A (0.65) NPC1MTNR1AMTNR1BKCNH2SCN9A
SCHEMBL7027930 0.89 MTNR1A (0.65) NPC1MTNR1AMTNR1BKCNH2SCN9A
SCHEMBL4787207 0.87 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1GAATSHR
SCHEMBL7026958 0.87 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1GAATSHR
SCHEMBL7026953 0.87 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1GAATSHR
SCHEMBL7022199 0.85 MTNR1A (0.60) MTNR1AMTNR1BKCNH2SCN9ASCN5A

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