SCHEMBL7454565

SCHEMBL7454565

Cc1ncccc1C(=O)CCCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
CTNNB1 P35222 3/20 0.45
WNT3A P56704 3/20 0.45
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FAAH O00519 4/20 0.38
MYC P01106 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
AGER Q15109 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL11621763 0.88 P2RX7 (0.56) P2RX7CTNNB1WNT3ALMNASMN1; SMN2
SCHEMBL4970018 0.84 P2RX7 (0.59) P2RX7CTNNB1WNT3ALMNASMN1; SMN2
SCHEMBL27890805 0.84 FAAH (0.52) P2RX7FAAHALDH1A1MAPTDAGLA
Hydrochloric Acid SCHEMBL7996665 0.83 P2RX7 (0.57) P2RX7CTNNB1WNT3ALMNASMN1; SMN2
SCHEMBL20795421 0.80 GAA (0.43) P2RX7CTNNB1WNT3ALMNASMN1; SMN2
SCHEMBL2632669 0.79 P2RX7 (0.61) P2RX7CTNNB1WNT3ALMNASMN1; SMN2
SCHEMBL11243043 0.78 P2RX7 (0.51) P2RX7CTNNB1WNT3ASMN1; SMN2KDM4E
SCHEMBL11709541 0.77 CTNNB1 (0.57) CTNNB1WNT3AL3MBTL1HPGD
SCHEMBL2231066 0.77 P2RX7 (0.59) P2RX7CTNNB1WNT3ALMNASMN1; SMN2
SCHEMBL6077799 0.77 P2RX7 (0.64) P2RX7CTNNB1WNT3ALMNASMN1; SMN2

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
WO-2000003712-A1 1-4-DIHYDROPYRIDINES WITH PYRIDINYL GROUP AS CALCIUM BLOCKERS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed