SCHEMBL8972304

SCHEMBL8972304

CCOC(=O)NCCCNCC1CCc2cccc(OC)c2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 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
SCHEMBL8970307 0.84 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9241035 0.80 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8971881 0.80 CA1 (0.44) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL9242384 0.79 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8970407 0.79 SIGMAR1 (0.53) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL12635376 0.76 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9241295 0.76 MTNR1A (0.47) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9282812 0.76 MTNR1A (0.55) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8969041 0.75 CHRM2 (0.51) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8970480 0.75 MTNR1A (0.53) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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