SCHEMBL8890686

SCHEMBL8890686

COc1cccc2c1CC(NC(C)C)CC2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.66
MTNR1B P49286 7/20 0.66
CYP1A2 P05177 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
DRD2 P14416 3/20 0.57
DRD3 P35462 3/20 0.57
DRD4 P21917 2/20 0.57
CHRM2 P08172 2/20 0.55
CHRM1 P11229 2/20 0.55
CHRM3 P20309 2/20 0.55

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
SCHEMBL9355809 0.86 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9558544 0.86 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8893102 0.85 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL7935647 0.83 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7543876 0.83 DRD2 (0.80) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4518779 0.83 DRD2 (0.80) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8891575 0.82 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL9355070 0.82 MTNR1A (0.66) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL7543024 0.82 DRD2 (0.78) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
Hydrochloric Acid SCHEMBL7544278 0.82 DRD2 (0.78) 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 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