SCHEMBL19488591

SCHEMBL19488591

CCCNCc1nc2ccc(C#Cc3ccc(-c4cnc(CN(CCC)C(=O)OC(C)(C)C)[nH]4)cc3)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL19488605 0.82 PDE10A (0.35) AAK1SMN1; SMN2
SCHEMBL18526605 0.80 SSTR4 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL18526689 0.80 HDAC1 (0.36) HDAC1HDAC3HDAC2NCOR2
SCHEMBL20055131 0.78 LMNA (0.33) AAK1SMN1; SMN2HDAC1HDAC3
SCHEMBL12648045 0.78 SSTR4 (0.39) HDAC1HDAC3HDAC2NCOR2
SCHEMBL18526454 0.77 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL19488576 0.77 SSTR4 (0.37) HDAC1HDAC3HDAC2NCOR2
SCHEMBL19488582 0.77 AAK1 (0.32) AAK1GABRA1GABRG2GABRB3GABRA3
SCHEMBL19339742 0.76 GABRA1 (0.39) AAK1SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL19339763 0.74 SSTR4 (0.41) SMN1; SMN2HDAC1HDAC3HDAC2NCOR2

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-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed