SCHEMBL8879441

SCHEMBL8879441

CN1CCC[C@H]1Cc1c[nH]c2ccc(OCCCCN3C(=O)c4cccc5cccc(c45)C3=O)cc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 7/20 0.58
▸ HTR1A P08908 2/20 0.58
▸ HTR6 P50406 10/20 0.55
▸ HTR1D P28221 5/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8880172 1.00 HTR1B (0.58) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8879194 0.98 HTR1B (0.58) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8879378 0.93 HTR1B (0.62) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8879970 0.93 HTR1B (0.62) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8879963 0.93 HTR1B (0.62) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8881179 0.92 HTR1B (0.61) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8880879 0.90 HTR1B (0.63) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8880277 0.90 HTR1B (0.63) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8880280 0.90 HTR1B (0.63) HTR1BHTR1AHTR6HTR1DMEN1
SCHEMBL8880624 0.87 HTR1B (0.64) HTR1BHTR1AHTR6HTR1DMEN1

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
WO-1997046525-A1 5-ALKOXY-TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR AGONISTS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-12-11 — — WO claimed
US-5654431-A EXHIBIT SELECTIVITY TOWARDS 5-HYDROXYTRYPTAMINE RECEPTORS OF BRAIN CELLS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-08-05 — — US claimed
US-5654431-A EXHIBIT SELECTIVITY TOWARDS 5-HYDROXYTRYPTAMINE RECEPTORS OF BRAIN CELLS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-08-05 — — US disclosed
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