SCHEMBL7988529

SCHEMBL7988529

O=C(O)N(CCc1c[nH]cn1)Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL4379614 0.74 BRD4 (0.33) LMNAKDM4EALDH1A1L3MBTL1TDP1
SCHEMBL7609127 0.73 ALDH1A1 (0.50) ALDH1A1L3MBTL1TAS2R14TDP1POLB
SCHEMBL8115323 0.72 NR3C2 (0.33) ROCK1MCHR1
SCHEMBL7972615 0.70 HRH3 (0.37) MCHR1
SCHEMBL7989175 0.69 FAAH (0.45) LMNAGAAL3MBTL1
SCHEMBL8331046 0.68 CA12 (0.50) ROCK1CA12CA1CA2CA4
SCHEMBL8328142 0.68 HDAC1 (0.47) LMNAGAAMCHR1ALDH1A1L3MBTL1
SCHEMBL6180475 0.68 L3MBTL1 (0.50) LMNAKDM4EMCHR1ALDH1A1CA12
SCHEMBL8114784 0.68 CYP19A1 (0.41) GAA
SCHEMBL7977425 0.68 FAAH (0.46) LMNAL3MBTL1

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed