SCHEMBL18501630

SCHEMBL18501630

CCC(C)COC1CCCN(C(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL26788859 0.85 CTSV (0.35) HRH3DRD2DRD3
SCHEMBL12026463 0.83 HRH3 (0.33) HRH3DRD2DRD3
SCHEMBL22251602 0.83 HRH3 (0.33) HRH3DRD2DRD3
SCHEMBL16750032 0.80 TAAR1 (0.40) HRH3DRD2DRD3
SCHEMBL771695 0.78 DRD2 (0.32) HRH3DRD2DRD3
SCHEMBL19939282 0.77 HRH3 (0.38) HRH3
SCHEMBL16996995 0.77 NPC1 (0.34) HRH3DRD2DRD3
SCHEMBL23425718 0.76 CA12 (0.31)
SCHEMBL23132933 0.76 CA12 (0.31)
SCHEMBL12920256 0.75 SHBG (0.38)

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-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed