SCHEMBL8892547

SCHEMBL8892547

CC(C)NC1CCc2cccc(O)c2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
DRD3 P35462 4/20 0.57
CHRM3 P20309 2/20 0.54
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
HTR1A P08908 3/20 0.48
HTR7 P34969 3/20 0.48
HTR1D P28221 2/20 0.48
DRD4 P21917 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR2B P41595 1/20 0.48
HTR5A P47898 1/20 0.48
MTNR1A P48039 1/20 0.47

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
SCHEMBL8891880 0.84 DRD2 (0.51) DRD2DRD3CHRM3CHRM2CHRM1
SCHEMBL8894457 0.83 CHRM3 (0.58) DRD2DRD3CHRM3CHRM2CHRM1
SCHEMBL8892204 0.82 HTR1A (0.52) DRD2DRD3CHRM3HTR1AHTR7
SCHEMBL9189347 0.82 DRD2 (0.57) DRD2DRD3DRD4CYP1A2CYP2D6
SCHEMBL8890686 0.81 MTNR1A (0.66) DRD2DRD3CHRM3CHRM2CHRM1
SCHEMBL27636731 0.80 CHRM3 (0.54) DRD2DRD3CHRM3CHRM2CHRM1
SCHEMBL9185060 0.79 DRD2 (0.55) DRD2DRD3DRD4CYP1A2MTNR1A
SCHEMBL8891819 0.79 DRD2 (0.62) DRD2DRD3CHRM3CHRM2CHRM1
SCHEMBL13552272 0.79 CHRM3 (0.54) DRD2DRD3CHRM3CHRM2CHRM1
SCHEMBL9406032 0.78 MTNR1A (0.71) CHRM3CHRM2CHRM1CYP1A2MTNR1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594034-A ADMINISTERING DIRECT ACTING 5-HYDROXYTRYPTAMINE AGONIST TO MAMMAL ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5457120-A Antisecretory and antiserotonine agents ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-5340838-A Administering serotonin agonist to mammals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed