SCHEMBL9024541

SCHEMBL9024541

O=C1c2c(-c3ccccc3F)noc2CCC1CCCN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.53
DRD2 P14416 8/20 0.53
HTR2A P28223 8/20 0.53
HTR7 P34969 3/20 0.49
HTR6 P50406 3/20 0.49
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
Hydrochloric Acid SCHEMBL9024851 0.99 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9024561 0.83 HTR1A (0.45) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9024282 0.83 HTR7 (0.42) HTR1ADRD2HTR2AHTR7LMNA
SCHEMBL9024223 0.82 HTR2C (0.50) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9024511 0.82 HTR7 (0.41) DRD2HTR7LMNADRD3
SCHEMBL9024010 0.80 KCNH2 (0.44) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9688546 0.80 HTR2C (0.56) HTR1ADRD2HTR2AHTR7ADRA1A
Hydrochloric Acid SCHEMBL9024250 0.80 KCNH2 (0.43) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9023951 0.80 HTR2C (0.55) HTR1ADRD2HTR2AHTR7ADRA1A
SCHEMBL9024721 0.79 ADRA1A (0.42) HTR1ADRD2HTR2AHTR7CHRM1

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 7 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 claimed
US-5114936-A Antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-19 US claimed
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