SCHEMBL9024716

SCHEMBL9024716

O=C1CCCc2onc(-c3cccc(F)c3)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.53
BUB1 O43683 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOTUM Q6P988 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL9024407 0.83 HTR2A (0.49) HTR7ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1582995 0.83 HTR7 (0.46) HTR7ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8789344 0.80 NPC1 (0.44) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL9024154 0.75 HTR7 (0.51) HTR7ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL9445146 0.74 HTR2A (0.50) HTR7ALDH1A1SMN1; SMN2
SCHEMBL525548 0.74 KDM4E (0.38) HTR7BUB1CHRNB4CHRNA3KDM4E
SCHEMBL9024345 0.71 HTR7 (0.43) HTR7GPBAR1GABRA5
SCHEMBL9475494 0.71 HTR7 (0.46) HTR7POLBHTTGPBAR1GABRP
SCHEMBL20546704 0.69 HTR7 (1.00) HTR7GPBAR1
SCHEMBL14014136 0.69 BRD4 (0.48) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1

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