SCHEMBL9833331

SCHEMBL9833331

Nc1n[nH]cc1CC(=O)CCCCCCCCCCCCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
EPHX1 P07099 2/20 0.41
AURKA O14965 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
NR3C2 P08235 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
DHODH Q02127 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
GAA P10253 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
SCHEMBL9834295 0.86 NAAA (0.43) TAAR1NR3C2
SCHEMBL9833469 0.84 HDAC1 (0.46) HDAC1HDAC8TAAR1NR3C2
SCHEMBL9832892 0.79 NAAA (0.37) FFAR4
SCHEMBL9834514 0.78 HRH1 (0.41)
SCHEMBL9832110 0.77 TDP1 (0.41)
SCHEMBL9832722 0.76 MPO (0.39) HDAC1TAAR1NR3C2
SCHEMBL30412030 0.75 EPHX1 (0.59) HDAC1HDAC8EPHX1AURKATAAR1
SCHEMBL9833135 0.75 CNR1 (0.40) HDAC1DHODH
SCHEMBL249437 0.74 EPHX1 (0.61) HDAC1HDAC8EPHX1AURKATAAR1
SCHEMBL7150587 0.73 MAPT (0.60) HDAC1HDAC8EPHX1TAAR1FFAR1

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-0129846-B1 (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES AMERICAN CYANAMID COMPANY (US) 1991-05-08 EP claimed