SCHEMBL7838726

SCHEMBL7838726

CCOC(=O)C1(C(=O)/C(=C/Cl)c2ccc3c(ccn3C)c2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CHRNA7 P36544 3/20 0.37
OPRM1 P35372 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL412779 0.71 SLC6A2 (0.47) CHRNA7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27732339 0.70 TUBB4A (0.52) CCNCCDK8CHRNA7TUBB4ATUBB
SCHEMBL7617993 0.67 SLC6A2 (0.38) CCNCCDK8CHRNA7TUBB4ATUBB
SCHEMBL413425 0.66 SLC6A2 (0.61) CHRNA7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2814112 0.65 OPRM1 (0.54) OPRM1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27594512 0.63 TUBB4A (0.52) CHRNA7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17976396 0.63 MAOB (0.56) CHRNA7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL413794 0.63 SLC6A2 (0.62) CHRNA7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27887307 0.63 TUBB4A (0.70) CHRNA7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28265884 0.62 TUBB4A (0.55) CHRNA7TUBB4ATUBBTUBA3CTUBA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO claimed