SCHEMBL8103893

SCHEMBL8103893

N#Cc1ccc2[nH]cc(C3CC[N]C(N4CCCCC4)C3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.72
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
HTR1A P08908 1/20 0.53
DRD1 P21728 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR6 P50406 1/20 0.53

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
SCHEMBL8103912 0.84 CYP1A2 (0.54) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL8149530 0.84 SLC6A4 (0.51) SLC6A4HTR1AHTR1BHTR6
SCHEMBL8096606 0.84 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL8109654 0.84 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6087082 0.84 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4675431 0.83 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4671510 0.83 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6087738 0.82 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4676504 0.82 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4674034 0.82 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR1ADRD1

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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed