SCHEMBL8879963

SCHEMBL8879963

CN1CCCC1Cc1c[nH]c2ccc(OCCCCN3C(=O)c4ccccc4C3=O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 8/20 0.62
▸ HTR1A P08908 3/20 0.62
▸ HTR6 P50406 9/20 0.59
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTR1D P28221 5/20 0.55
▸ CHRM2 P08172 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ GABRP O00591 1/20 0.51
▸ GABRD O14764 1/20 0.51
▸ GABRA1 P14867 1/20 0.51

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
SCHEMBL8879970 1.00 HTR1B (0.62) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8879378 1.00 HTR1B (0.62) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8881179 0.99 HTR1B (0.61) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8880277 0.97 HTR1B (0.63) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8880280 0.97 HTR1B (0.63) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8880879 0.97 HTR1B (0.63) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8880624 0.95 HTR1B (0.64) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8879441 0.93 HTR1B (0.58) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8880172 0.93 HTR1B (0.58) HTR1BHTR1AHTR6MEN1LMNA
SCHEMBL8879194 0.90 HTR1B (0.58) HTR1BHTR1AHTR6MEN1LMNA

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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