SCHEMBL8969631

SCHEMBL8969631

COc1cccc2c1CC(CNCCCN(Cc1ccccc1)C(=O)c1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
SIGMAR1 Q99720 2/20 0.46
HTR1A P08908 1/20 0.46
LPAR1 Q92633 2/20 0.44
LPAR5 Q9H1C0 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD2 P14416 3/20 0.43
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
LPAR2 Q9HBW0 1/20 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
SCHEMBL8970480 0.88 MTNR1A (0.53) MTNR1AMTNR1BSIGMAR1HTR1ACHRM2
SCHEMBL8969348 0.85 MTNR1A (0.46) MTNR1AMTNR1BSIGMAR1HTR1ALPAR1
SCHEMBL8970307 0.81 MTNR1A (0.62) MTNR1AMTNR1BSIGMAR1HTR1ACHRM2
SCHEMBL8970407 0.80 SIGMAR1 (0.53) MTNR1AMTNR1BSIGMAR1HTR1AHTR1D
SCHEMBL8970649 0.80 BACE1 (0.47) MTNR1AMTNR1BSIGMAR1HTR1ACHRM2
SCHEMBL8970549 0.79 MTNR1A (0.54) MTNR1AMTNR1BSIGMAR1HTR1ADRD2
SCHEMBL8996694 0.78 MTNR1A (0.46) MTNR1AMTNR1BSIGMAR1HTR1ACHRM2
SCHEMBL8970411 0.77 SIGMAR1 (0.58) MTNR1AMTNR1BSIGMAR1HTR1ACHRM2
SCHEMBL8971881 0.74 CA1 (0.44) MTNR1AMTNR1BSIGMAR1HTR1ADRD2
SCHEMBL8970511 0.73 SIGMAR1 (0.50) MTNR1AMTNR1BSIGMAR1HTR1ACHRM2

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 6 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
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed