SCHEMBL7024065

SCHEMBL7024065

CN1CCN(c2cccc3c2C[C@H](NC(=O)c2ccccc2O)CC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.47
MTNR1B P49286 7/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
KCNH2 Q12809 3/20 0.42
SCN9A Q15858 3/20 0.42
SCN5A Q14524 2/20 0.42

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
SCHEMBL7024074 1.00 MTNR1A (0.47) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL7023560 0.89 NPC1 (0.48) MTNR1AMTNR1BNPC1ALDH1A1RAB9A
SCHEMBL7023556 0.89 NPC1 (0.48) MTNR1AMTNR1BNPC1ALDH1A1RAB9A
SCHEMBL7027929 0.86 MTNR1A (0.65) MTNR1AMTNR1BNPC1RAB9ADRD4
SCHEMBL7027930 0.86 MTNR1A (0.65) MTNR1AMTNR1BNPC1RAB9ADRD4
SCHEMBL7024650 0.84 MTNR1A (0.50) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7024651 0.84 MTNR1A (0.50) MTNR1AMTNR1BDRD4DRD2CYP1A2
SCHEMBL7030412 0.84 MTNR1A (0.54) MTNR1AMTNR1BDRD4DRD2KCNH2
SCHEMBL7030407 0.84 MTNR1A (0.54) MTNR1AMTNR1BDRD4DRD2KCNH2
SCHEMBL7029145 0.83 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1HPGDDRD4

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 3 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