SCHEMBL6819614

SCHEMBL6819614

Cc1ccc(N2CCN(C)CC2)c2c1OC[C@@H](N)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
DRD4 P21917 3/20 0.40
HTR2A P28223 2/20 0.40
DRD1 P21728 1/20 0.40
ADRA2C P18825 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
HTT P42858 2/20 0.34
GAA P10253 2/20 0.34
PTK2B Q14289 2/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL6819626 1.00 DRD2 (0.40) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL6930432 0.81 ALDH1A1 (0.43) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL6930424 0.81 ALDH1A1 (0.43) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4747515 0.81 ADRA2C (0.38) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4834468 0.76 KCNH2 (0.47) DRD2DRD3DRD4HTR2AADRA2C
SCHEMBL4838068 0.76 KCNH2 (0.47) DRD2DRD3DRD4HTR2AADRA2C
SCHEMBL14157834 0.76 KCNH2 (0.47) DRD2DRD3DRD4HTR2AADRA2C
SCHEMBL4751796 0.76 KCNH2 (0.47) DRD2DRD3DRD4HTR2AADRA2C
SCHEMBL4213722 0.74 ADRA1A (0.40) DRD2DRD3ADRA2CKDM4EALDH1A1
SCHEMBL6819440 0.74 ADRA1A (0.40) DRD2DRD3ADRA2CKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1278809-A Substituted chroman derivatives ASTRA ZENECA AKTIEBOLAG (SE) 2001-01-03 CN 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-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-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
EP-1014986-A1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-05 EP disclosed
WO-1999013878-A1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 WO 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