SCHEMBL19333335

SCHEMBL19333335

CCCN(CC(C)C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.44
ADH1C P00326 3/20 0.41
HTR1D P28221 2/20 0.40
HTR1B P28222 1/20 0.40
DRD3 P35462 4/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 2/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
ADH1B P00325 1/20 0.34
SLC6A3 Q01959 2/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL9289972 0.90 HTR1D (0.43) HTR1DHTR1BDRD3DRD2DRD4
SCHEMBL2481382 0.85 ADH1C (0.40) ADH1AADH1CSLC6A2SLC6A4ADH1B
SCHEMBL27826964 0.85 ADH1A (0.42) ADH1AADH1CHTR1DHTR1BDRD3
SCHEMBL19143811 0.83 ADH1A (0.41) ADH1AADH1CSLC6A2SLC6A4ADH1B
SCHEMBL22541111 0.83 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL11073680 0.83 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL516269 0.83 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL24272678 0.82 SLC6A2 (0.36) ADH1AADH1CSLC6A2SLC6A4ADH1B
SCHEMBL20803994 0.82 ADH1A (0.40) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL24437747 0.82 DRD3 (0.41) ADH1AADH1CDRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed