SCHEMBL7028902

SCHEMBL7028902

CN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccc(N4CCSCC4)cc2)CC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ KCNH2 Q12809 3/20 0.47
▸ SCN9A Q15858 3/20 0.47
▸ SCN5A Q14524 2/20 0.47
▸ AR P10275 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ HDAC3 O15379 6/20 0.43
▸ HDAC8 Q9BY41 6/20 0.43
▸ CTSS P25774 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL7028906 1.00 MTNR1A (0.48) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL7021228 0.90 MTNR1A (0.50) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL7021230 0.90 MTNR1A (0.50) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL7025317 0.89 MTNR1A (0.49) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL3830330 0.89 DRD2 (0.50) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL7025324 0.89 MTNR1A (0.49) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL6820453 0.89 DRD2 (0.50) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL7024053 0.89 DRD2 (0.50) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL7024434 0.86 MAPT (0.54) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL7030061 0.86 MAPT (0.54) 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 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
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