SCHEMBL9756415

SCHEMBL9756415

CC(C)(C)N(NC(=O)c1cccc(F)c1)C(=O)C1CCC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABCB1 P08183 3/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL9756230 0.98 GRM5 (0.48) GRM5CYP3A4CYP2C9ABCB1HDAC1
SCHEMBL9756337 0.96 GRM5 (0.47) GRM5CYP3A4CYP2C9ABCB1HDAC1
SCHEMBL9755907 0.96 GRM5 (0.47) GRM5CYP3A4CYP2C9ABCB1HDAC1
SCHEMBL9756167 0.96 GRM5 (0.47) GRM5CYP3A4CYP2C9ABCB1HDAC1
SCHEMBL9756150 0.96 CYP3A4 (0.50) GRM5CYP3A4CYP2C9ABCB1HDAC1
SCHEMBL9756249 0.86 ABCB1 (0.63) CYP3A4CYP2C9ABCB1HDAC6NPC1
SCHEMBL9755965 0.84 POLB (0.61) CYP3A4CYP2C9POLB
SCHEMBL9755941 0.84 ABCB1 (0.63) CYP3A4CYP2C9ABCB1HDAC6NPC1
SCHEMBL9755910 0.83 ABCB1 (0.62) CYP3A4CYP2C9ABCB1HDAC6NPC1
SCHEMBL9755886 0.83 ABCB1 (0.62) CYP3A4CYP2C9ABCB1HDAC6NPC1

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-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed