SCHEMBL873500

SCHEMBL873500

COc1cccc2c1C[C@H](N)CO2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
HTR1A P08908 1/20 0.54
DRD1 P21728 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1A P35348 3/20 0.53
DRD3 P35462 1/20 0.49

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
SCHEMBL4839911 1.00 DRD2 (0.54) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL14157832 1.00 DRD2 (0.54) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL873501 1.00 DRD2 (0.54) DRD2HTR1ADRD1HTR1BHTR2A
Hydrochloric Acid SCHEMBL8823809 0.98 DRD2 (0.53) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL9441617 0.81 HTR1A (0.54) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL8886915 0.81 HTR1A (0.54) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL4505997 0.78 DRD2 (0.52) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL14157823 0.78 DRD2 (0.52) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL19054489 0.78 HTR7 (0.38) DRD2HTR1ADRD1HTR1BHTR2A
SCHEMBL4749715 0.78 HTR1B (0.44) DRD2HTR1ADRD1HTR1BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012039657-A1 NOVEL CHROMANE COMPOUND FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2012-03-29 WO disclosed
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 EP disclosed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1025096-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP disclosed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 EP disclosed
US-6387899-B1 ANTISEROTONINE AGENTS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2002-05-14 US disclosed
US-6384225-B1 5-PIPERIDINYL- OR PIPERAZINYL-SUBSTITUTED 3,4-DIHYDRO-2H-1-BENZOPYRANS ASTRAZENECA AB (SE) 2002-05-07 US disclosed
US-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US disclosed
US-6159972-A Combination of a selective 5-HT1A antagonist and a selective ub. h5-HT.s1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US disclosed
US-6159971-A Combination of a 5-HT reuptake inhibitor and a h5-HT1B anatagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 US disclosed
EP-1025096-A1 SUBSTITUTED CHROMAN DERIVATIVES AstraZeneca AB (SE) 2000-08-09 EP disclosed
EP-1014985-A1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A h5-HT 1B ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-05 EP disclosed
WO-1999014213-A1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 1999-03-25 WO disclosed
WO-1999013877-A1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 WO disclosed