SCHEMBL8880990

SCHEMBL8880990

NCCc1c[nH]c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ LMNA P02545 3/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ HTR1A P08908 11/20 0.65
▸ HTR1B P28222 11/20 0.65
▸ HTR1D P28221 10/20 0.65
▸ TDP1 Q9NUW8 4/20 0.60
▸ TP53 P04637 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ LTA4H P09960 1/20 0.60
▸ PLA2G2A P14555 1/20 0.60
▸ MAPK1 P28482 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ HTR2A P28223 1/20 0.59

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
SCHEMBL8879715 0.97 HTR1A (0.67) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8880021 0.96 HTR1A (0.69) MAPTMEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8882075 0.96 MAPT (0.66) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8880777 0.95 HTR1A (0.66) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8880288 0.94 HTR1A (0.63) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8880295 0.91 HTR1A (0.59) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8878119 0.88 HTR1A (0.61) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8879233 0.87 HTR1A (0.63) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5148291 0.86 MAPT (0.70) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8880677 0.82 HTR1A (0.65) MAPTMEN1KMT2AHTR1AHTR1B

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 4 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
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 disclosed
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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