SCHEMBL24364018

SCHEMBL24364018

CCCNC(=O)C1C=CC(CC)=C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
GRM4 Q14833 1/20 0.34
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
POLB P06746 2/20 0.31
BCHE P06276 1/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 2/20 0.30
EPHX1 P07099 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL18753542 0.76 HPGD (0.37) HPGDKDM4EHSD17B10CHRNB2CHRNB4
SCHEMBL2540307 0.71
SCHEMBL7457229 0.64 NAAA (0.47) POLBEPHX1
SCHEMBL13728780 0.64 BCHE (0.41) HPGDKDM4EHSD17B10CHRNB2CHRNB4
SCHEMBL6360425 0.60 CHRNB2 (0.46) HPGDKDM4EHSD17B10CHRNB2CHRNB4
SCHEMBL103494 0.60
SCHEMBL10154125 0.60 CHRNB2 (0.42) HPGDKDM4EHSD17B10CHRNB2CHRNB4
SCHEMBL17923869 0.59 CHRNB2 (0.53) HPGDKDM4EHSD17B10CHRNB2CHRNB4
SCHEMBL20868252 0.59 CHRNB2 (0.53) HPGDKDM4EHSD17B10CHRNB2CHRNB4
SCHEMBL2540554 0.59 CHRNB2 (0.53) HPGDKDM4EHSD17B10CHRNB2CHRNB4

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-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed