SCHEMBL8970307

SCHEMBL8970307

COc1cccc2c1CC(CNCCCNC(=O)c1ccccc1)CC2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.62
MTNR1B P49286 7/20 0.62
DRD2 P14416 6/20 0.54
DRD3 P35462 6/20 0.54
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD4 P21917 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
HTR1A P08908 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL8972304 0.84 MTNR1A (0.49) MTNR1AMTNR1BDRD2DRD3CHRM2
SCHEMBL8970480 0.83 MTNR1A (0.53) MTNR1AMTNR1BDRD2DRD3CHRM2
SCHEMBL8970407 0.83 SIGMAR1 (0.53) MTNR1AMTNR1BDRD2CHRM2CHRM1
SCHEMBL8970549 0.81 MTNR1A (0.54) MTNR1AMTNR1BDRD2DRD3HTR1A
SCHEMBL8969631 0.81 MTNR1A (0.51) MTNR1AMTNR1BDRD2CHRM2CHRM1
SCHEMBL9733990 0.77 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8970411 0.77 SIGMAR1 (0.58) MTNR1AMTNR1BDRD2CHRM2CHRM1
SCHEMBL12635378 0.76 CHRM2 (0.62) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL4277942 0.76 SMN1; SMN2 (0.58) DRD2DRD3DRD4
SCHEMBL8969041 0.75 CHRM2 (0.51) MTNR1AMTNR1BDRD2DRD3CHRM2

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