SCHEMBL2575684

SCHEMBL2575684

C=CC([O])N1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37

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
SCHEMBL2577676 0.94 LMNA (0.36) LMNACA12CA1CA2CA3
SCHEMBL22228539 0.81 LMNA (0.42) LMNACA12CA1CA2CA3
SCHEMBL21200450 0.78 LMNA (0.40) LMNACA12CA1CA2CA3
SCHEMBL169032 0.78 LMNA (0.43) LMNACA12CA1CA2CA3
SCHEMBL2451756 0.78 LMNA (0.43) LMNACA12CA1CA2CA3
SCHEMBL1682218 0.78 LMNA (0.43) LMNACA12CA1CA2CA3
SCHEMBL22228550 0.75 LMNA (0.37) LMNACA12CA1CA2CA3
SCHEMBL531031 0.75 LMNA (0.41) LMNACA12CA1CA2CA3
SCHEMBL7355170 0.75 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL5768011 0.73 LMNA (0.44) LMNACA12CA1CA2CA3

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-2245014-B1 UREA DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2011-11-02 EP claimed