SCHEMBL14499474

SCHEMBL14499474

O=C(NCC1(c2ccccc2)CCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1CI

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.61
SPR P35270 1/20 0.53
ABCB11 O95342 1/20 0.51
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1412923 0.90 P2RX7 (0.76) P2RX7SPRABCB11LMNA
SCHEMBL1415261 0.89 P2RX7 (0.74) P2RX7SPRABCB11LMNA
SCHEMBL1412966 0.84 P2RX7 (0.59) P2RX7SPRABCB11LMNAMEN1
SCHEMBL1412881 0.81 P2RX7 (0.73) P2RX7SPRABCB11
SCHEMBL5624270 0.81 P2RX7 (0.66) P2RX7SPRABCB11
SCHEMBL1413037 0.79 P2RX7 (0.57) P2RX7SPRABCB11LMNAMEN1
SCHEMBL5623151 0.78 P2RX7 (0.52) P2RX7SPRABCB11
SCHEMBL1412885 0.76 P2RX7 (1.00) P2RX7ABCB11
SCHEMBL1412969 0.76 P2RX7 (1.00) P2RX7ABCB11
SCHEMBL1412959 0.76 P2RX7 (0.58) P2RX7SPRABCB11

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
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US disclosed