SCHEMBL9756150

SCHEMBL9756150

CC(C)(C)N(NC(=O)c1cccc(F)c1)C(=O)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ABCB1 P08183 3/20 0.49
GRM5 P41594 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 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 0.96 GRM5 (0.48) CYP3A4CYP2C9ABCB1GRM5HDAC1
SCHEMBL9756415 0.96 GRM5 (0.51) CYP3A4CYP2C9ABCB1GRM5HDAC1
SCHEMBL9755907 0.95 GRM5 (0.47) CYP3A4CYP2C9ABCB1GRM5HDAC1
SCHEMBL9756337 0.95 GRM5 (0.47) CYP3A4CYP2C9ABCB1GRM5HDAC1
SCHEMBL9756167 0.95 GRM5 (0.47) CYP3A4CYP2C9ABCB1GRM5HDAC1
SCHEMBL9755977 0.85 ABCB1 (0.67) CYP3A4CYP2C9ABCB1HDAC6NPC1
SCHEMBL9714308 0.83 CYP3A4 (0.71) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9755894 0.83 CYP3A4 (0.55) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756040 0.83 POLB (0.67) CYP3A4CYP2C9POLB
SCHEMBL9756249 0.82 ABCB1 (0.63) 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