SCHEMBL11234019

SCHEMBL11234019

CCC1(C2CCCCC2)CCCNC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL2575329 0.78 CYP3A4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL6077946 0.78 CYP3A4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL10836392 0.78 CYP3A4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL2573206 0.78 CYP3A4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL8731702 0.78 CYP3A4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL6784146 0.77 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL14432054 0.77 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL18903141 0.76 CYP3A4 (0.33)
SCHEMBL11452500 0.75 CYP3A4 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL7734592 0.75 CYP3A4 (0.32) SLC6A2SLC6A4SLC6A3

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-4353826-A ANTITUBERCULAR ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
US-4261891-A BACTERICIDES, ANTITUBERCULAR AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed
US-4005077-A DERIVATIVES OF RIFAMYCIN S OR SV CIBA-GEIGY CORPORATION (US) 1977-01-25 US disclosed