SCHEMBL9024345

SCHEMBL9024345

O=C1c2c(-c3cccc(F)c3)noc2CCC1CCCCl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
GABRA5 P31644 5/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HTR1A P08908 1/20 0.34
GRM5 P41594 9/20 0.33
HTR2C P28335 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL9023822 0.87 HTR2A (0.39) HTR7GABRA5DRD2HTR2AHTR2C
SCHEMBL9445150 0.87 HTR7 (0.41) HTR7GABRA5DRD2HTR2AHTR1A
SCHEMBL9024797 0.87 HTR7 (0.36) HTR7DRD2HTR2AHTR1A
SCHEMBL9445148 0.81 HTR2A (0.40) HTR7GABRA5HTR2AHTR2CCYP1A2
SCHEMBL9023458 0.81 SMN1; SMN2 (0.33) HTR7DRD2HTR2AHTR1AGRM5
SCHEMBL9023952 0.81 HTR7 (0.41) HTR7GABRA5DRD2HTR2AHTR2C
SCHEMBL9689077 0.81 DRD2 (0.43) DRD2HTR2AHTR1AHTR2C
SCHEMBL9025050 0.78 HTR2C (0.53) DRD2HTR2AHTR2CCYP1A2CYP3A4
SCHEMBL9445139 0.78 HDAC1 (0.41) HTR7DRD2HTR2AHTR1AGRM5
Hydrochloric Acid SCHEMBL9024955 0.78 HTR2C (0.52) DRD2HTR2AHTR2CCYP1A2CYP3A4

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