SCHEMBL7844874

SCHEMBL7844874

CN(C)C(=O)c1cn(C(=O)N(C)C)c2cccc(Cl)c12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.42
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 1/20 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
SCHEMBL7844876 0.89 IL1B (0.42) IL1BALDH1A1
SCHEMBL7846009 0.83 HDAC1 (0.37) ALDH1A1
SCHEMBL7835032 0.81 CNR1 (0.36)
SCHEMBL7505185 0.79
SCHEMBL1023079 0.75 IL1B (0.63) IL1BP2RX7
SCHEMBL4720108 0.75 PTGDR2 (0.37) IL1B
SCHEMBL1020688 0.73 IL1B (0.55) IL1BP2RX7
SCHEMBL27998897 0.73 NOTUM (0.51) IL1BALDH1A1P2RX7
SCHEMBL6485465 0.71 ADRA2A (0.47) IL1BP2RX7
SCHEMBL7846010 0.71 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP disclosed
US-5654305-A TREATING PLATELET ACTIVATING FACTOR MEDIATED DISORDERS ABBOTT LABORATORIES (US) 1997-08-05 US disclosed
WO-1996033196-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1996-10-24 WO disclosed