SCHEMBL9366174

SCHEMBL9366174

CN1C2CCCC1(Oc1ccc3ccc4ccccc4c3c1)CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 6/20 0.38
SLC6A3 Q01959 6/20 0.38
CYP2D6 P10635 4/20 0.38
HRH3 Q9Y5N1 7/20 0.34
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA3 P32297 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
SCHEMBL7356174 0.72 HRH3 (0.37) HRH3
SCHEMBL4233540 0.71 AR (0.41)
SCHEMBL4232397 0.71 MYC (0.38) HRH3ALDH1A1CHRNA3
SCHEMBL9366679 0.66 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6HRH3
Hydrochloric Acid SCHEMBL4152474 0.65 DRD3 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6HRH3
SCHEMBL4538423 0.64
SCHEMBL21219851 0.62 HTR3E (0.54) SLC6A4CYP2D6ALDH1A1HSD17B10CHRNA3
SCHEMBL10866515 0.62 CYP2A6 (0.68) CYP2D6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL2781194 0.59 ALDH1A1 (0.56) ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL19583380 0.58 KMT2A (0.50) ALDH1A1HIF1ACYP1B1HSD17B10

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
EP-0306148-B1 Azabicyclic ethers WYETH JOHN & BROTHER LTD (GB) 1994-01-12 EP claimed