SCHEMBL9359494

SCHEMBL9359494

CCCC1(CCC)CCC2(CC1)CC(=O)N(CCCN(C)C)C(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.37
HTR1A P08908 7/20 0.35
ADRA1B P35368 3/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
STAT3 P40763 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL10581343 0.74 HTR1A (0.50) TERTHTR1ADRD2DRD3STAT3
SCHEMBL8295688 0.73 CHRM2 (0.42) HTR1AADRA1BDRD2DRD3HIF1A
Hydrochloric Acid SCHEMBL9355945 0.72 ALOX15 (0.54) DRD2DRD3
SCHEMBL9356394 0.72 CHRM2 (0.46) TERTHTR1ADRD2DRD3STAT3
SCHEMBL7920522 0.71 ALOX15 (0.46) DRD2DRD3
Hydrochloric Acid SCHEMBL6950425 0.70 ALOX15 (0.45) DRD2DRD3
SCHEMBL9360103 0.70
SCHEMBL10426634 0.69 TERT (0.52) TERTHTR1ADRD2DRD3STAT3
SCHEMBL18463363 0.69 HTR1A (0.52) HTR1AADRA1BDRD2DRD3HIF1A
SCHEMBL18771744 0.67 DNM1 (0.35)

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
EP-0310321-B1 Immunomodulatory azaspiranes SMITHKLINE BEECHAM CORP (US) 1994-11-30 EP disclosed
WO-1989002889-A1 IMMUNOMODULATORY AZASPIRANES SMITHKLINE BECKMAN CORPORATION (US) 1989-04-06 WO disclosed
EP-0310321-A2 Immunomodulatory azaspiranes SMITHKLINE BEECHAM CORPORATION (US) 1989-04-05 EP disclosed