SCHEMBL8894091

SCHEMBL8894091

c1coc(-c2ccc3[nH]cc(CCC4CCN4)c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.49
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
HTR6 P50406 1/20 0.40
CDK2 P24941 1/20 0.39
GSK3A P49840 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL8894945 0.92 SLC6A4 (0.60) SLC6A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8894085 0.78 HTR1D (0.59) HTR1DHTR1BBRD4
SCHEMBL8903222 0.78 HTR1D (0.62) HTR1DHTR1BBRD4
SCHEMBL8894103 0.73 TUBB4A (0.43) SLC6A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8686768 0.70 HTR1D (0.64) SLC6A4HTR6HTR1DHTR1B
SCHEMBL8903373 0.70 HTR1D (0.62) SLC6A4HTR6HTR1AHTR1DHTR1B
SCHEMBL6971173 0.68 SLC6A4 (0.60) SLC6A4HTR6HTR1DHTR1B
SCHEMBL8903215 0.68 TUBB4A (0.41) SLC6A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6968677 0.68 SLC6A4 (0.70) SLC6A4HTR6HTR1AHTR2CHTR1D
SCHEMBL8506913 0.68 SLC6A4 (0.70) SLC6A4HTR6HTR1AHTR2CHTR1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 WO claimed
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 WO disclosed