SCHEMBL9024154

SCHEMBL9024154

O=C1CCCc2onc(-c3ccccc3F)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
KDM4E B2RXH2 1/20 0.44
PTGS1 P23219 1/20 0.39
CYP2A6 P11509 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
BRD4 O60885 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
NOTUM Q6P988 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
SCHEMBL14014136 0.83 BRD4 (0.48) KDM4ECYP2A6MAOAMAOBSMN1; SMN2
SCHEMBL1582995 0.79 HTR7 (0.46) HTR7KDM4EPTGS1SMN1; SMN2ALDH1A1
SCHEMBL8781944 0.79 KMT2A (0.40) MAOBALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL9024407 0.77 HTR2A (0.49) HTR7KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9024716 0.75 HTR7 (0.53) HTR7KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL1918076 0.71 KDM4E (0.50) KDM4EMAOBSMN1; SMN2ALDH1A1NPC1
SCHEMBL9024867 0.71 HTR7 (0.43) HTR7PTGS1NPC1RAB9ABRD4
SCHEMBL9445146 0.71 HTR2A (0.50) HTR7PTGS1SMN1; SMN2ALDH1A1BRD4
SCHEMBL9687914 0.71 HTR7 (0.42) HTR7PTGS1NPC1RAB9AGPBAR1
SCHEMBL9023952 0.70 HTR7 (0.41) HTR7PTGS1NPC1RAB9AGPBAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474012-B1 6,7-Dihydro-3-phenyl-1,2-benzisoxazol-4(5H)-ones and -ols, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-11-27 EP disclosed
US-5256672-A Antipsychotic, analgesic HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-10-26 US disclosed
US-5180834-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-19 US disclosed
US-5114936-A Antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-19 US disclosed
EP-0474012-A1 6,7-Dihydro-3-phenyl-1,2-benzisoxazol-4(5H)-ones and -ols, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-03-11 EP disclosed