SCHEMBL8970549

SCHEMBL8970549

COc1cccc2c1CC(CN(CCCNC(=O)c1ccccc1)Cc1ccccc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
SIGMAR1 Q99720 10/20 0.48
TMEM97 Q5BJF2 7/20 0.46
ACKR3 P25106 1/20 0.46
HTR1A P08908 1/20 0.44

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
SCHEMBL8971881 0.88 CA1 (0.44) MTNR1AMTNR1BDRD2DRD3SIGMAR1
SCHEMBL8969348 0.86 MTNR1A (0.46) MTNR1AMTNR1BDRD2SIGMAR1HTR1A
SCHEMBL8996694 0.85 MTNR1A (0.46) MTNR1AMTNR1BDRD2DRD3SIGMAR1
SCHEMBL8970307 0.81 MTNR1A (0.62) MTNR1AMTNR1BDRD2DRD3SIGMAR1
SCHEMBL8970546 0.80 DRD2 (0.43) DRD2DRD3SIGMAR1TMEM97HTR1A
SCHEMBL8969631 0.79 MTNR1A (0.51) MTNR1AMTNR1BDRD2SIGMAR1HTR1A
SCHEMBL8970393 0.77 TAS2R14 (0.45) DRD2SIGMAR1HTR1A
SCHEMBL8969014 0.75 CHRM2 (0.43) DRD2SIGMAR1HTR1A
SCHEMBL8970480 0.73 MTNR1A (0.53) MTNR1AMTNR1BDRD2DRD3SIGMAR1
SCHEMBL8053417 0.72 SIGMAR1 (0.47) SIGMAR1TMEM97ACKR3

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
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed