SCHEMBL7063234

SCHEMBL7063234

COc1ccc(N2CCN(C)CC2)c2c1CCC(OC(=O)Nc1ccc(N3CCOCC3)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 10/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ RAD52 P43351 1/20 0.45
▸ HTR1A P08908 6/20 0.44
▸ HTR1D P28221 6/20 0.44
▸ HTR2A P28223 4/20 0.44
▸ HTR2C P28335 3/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7063741 1.00 HTR1B (0.52) HTR1BKCNH2MAPTNPC1RAB9A
SCHEMBL7062951 1.00 HTR1B (0.52) HTR1BKCNH2MAPTNPC1RAB9A
SCHEMBL6816422 0.86 HTR1B (0.58) HTR1BKCNH2MAPTNPC1RAB9A
SCHEMBL6816404 0.86 HTR1B (0.58) HTR1BKCNH2MAPTNPC1RAB9A
SCHEMBL6816431 0.86 HTR1B (0.58) HTR1BKCNH2MAPTNPC1RAB9A
SCHEMBL6913785 0.85 HTR1B (0.47) HTR1BKCNH2MAPTNPC1RAB9A
SCHEMBL7606936 0.82 TSHR (0.49) POLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7063256 0.82 TSHR (0.49) POLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6569460 0.80 GAA (0.49) HTR1BKCNH2MAPTNPC1RAB9A
SCHEMBL6816380 0.79 DRD2 (0.50) HTR1BKCNH2MAPTNPC1RAB9A

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 3 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-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
EP-1000048-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-27 — — EP claimed
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