SCHEMBL16249376

SCHEMBL16249376

CC(C)C(N1CCC2(CCCN2)C1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 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
SCHEMBL16253348 0.84 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL12257649 0.79 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL20349521 0.76 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL12257641 0.74 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL18969278 0.72 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL9963293 0.71 CYP2D6 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL16249370 0.69
SCHEMBL16249369 0.69
SCHEMBL21214499 0.69 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL18969266 0.69 SMN1; SMN2 (0.32) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed