SCHEMBL7905693

SCHEMBL7905693

CC=COc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNB2 P17787 6/20 0.44
CHRNA4 P43681 6/20 0.44
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL601438 0.83
SCHEMBL4189879 0.80 LMNA (0.47) LMNATDP1CHRNB2CHRNA4CYP19A1
SCHEMBL4189876 0.80 LMNA (0.47) LMNATDP1CHRNB2CHRNA4CYP19A1
SCHEMBL29464820 0.75
SCHEMBL13665334 0.75
SCHEMBL7771216 0.75
SCHEMBL130691 0.75
SCHEMBL2539433 0.75
SCHEMBL13922667 0.74 LMNA (0.46) LMNATDP1CHRNB2CHRNA4CYP19A1
SCHEMBL5898125 0.73 CA4 (0.43) LMNACHRNB2CHRNA4KMT2A

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-6207676-B1 Bicyclic amines ZENECA LIMITED (GB) 2001-03-27 US disclosed