SCHEMBL8901901

SCHEMBL8901901

CC1CCC(C)N1CCc1c[nH]c2ccc(-c3cccs3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 1.00
HTR1B P28222 13/20 1.00
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
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
BRD4 O60885 1/20 0.41

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
SCHEMBL8893980 0.85 HTR1D (0.73) HTR1DHTR1BBRD4
SCHEMBL8902545 0.81 HTR1D (1.00) HTR1DHTR1BHTR1AHTR7BRD4
SCHEMBL8686765 0.81 HTR1D (1.00) HTR1DHTR1BBRD4MPO
SCHEMBL8903385 0.80 HTR1D (0.98) HTR1DHTR1BBRD4MPO
SCHEMBL8901608 0.78 HTR1D (1.00) HTR1DHTR1BHTR1AHTR7
SCHEMBL8901617 0.78 HTR1D (1.00) HTR1DHTR1BHTR1AHTR7
SCHEMBL8686120 0.78 HTR1D (1.00) HTR1DHTR1BHTR1AHTR7MPO
SCHEMBL8901244 0.78 HTR1D (0.76) HTR1DHTR1BHTR1AHTR7TUBB4A
SCHEMBL8903278 0.78 HTR1B (1.00) HTR1DHTR1BHTR1A
SCHEMBL8903284 0.78 HTR1B (1.00) HTR1DHTR1BHTR1A

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