SCHEMBL6820517

SCHEMBL6820517

COc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](C(=O)Nc1ccc(C(=O)N3CCOCC3)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ ACHE P22303 2/20 0.49
▸ BACE1 P56817 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HTR1B P28222 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PIK3CA P42336 3/20 0.46
▸ MTOR P42345 3/20 0.46
▸ PIK3CG P48736 2/20 0.46
▸ ABL1 P00519 3/20 0.46
▸ RIN1 Q13671 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 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
SCHEMBL6823346 1.00 KMT2A (0.53) KMT2AALDH1A1ACHEBACE1SMN1; SMN2
SCHEMBL6816422 0.90 HTR1B (0.58) KMT2AALDH1A1LMNAHTTHTR1B
SCHEMBL6816404 0.90 HTR1B (0.58) KMT2AALDH1A1LMNAHTTHTR1B
SCHEMBL6816431 0.90 HTR1B (0.58) KMT2AALDH1A1LMNAHTTHTR1B
SCHEMBL6819555 0.86 KMT2A (0.56) KMT2AALDH1A1ACHEBACE1SMN1; SMN2
SCHEMBL7025869 0.86 ABL1 (0.49) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6820084 0.85 TSHR (0.51) KMT2AALDH1A1ACHEBACE1LMNA
SCHEMBL6820519 0.85 TSHR (0.51) KMT2AALDH1A1ACHEBACE1LMNA
SCHEMBL6820038 0.83 HTT (0.54) KMT2AALDH1A1ACHEBACE1SMN1; SMN2
SCHEMBL6820035 0.83 MTNR1A (0.47) KMT2AALDH1A1HPGDKCNH2PIK3CA

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 11 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 claimed
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 claimed
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 claimed
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 claimed
US-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 — — US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 — — 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-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-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
Send feedback