SCHEMBL9024850

SCHEMBL9024850

O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3onc(-c4ccccc4F)c3C2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.64
HTR2A P28223 3/20 0.62
DRD2 P14416 1/20 0.62
HTR7 P34969 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
SCHEMBL9023464 0.95 HTR2C (0.57) HTR2CHTR2ADRD2HTR7
Hydrochloric Acid SCHEMBL9023876 0.94 HTR2C (0.56) HTR2CHTR2ADRD2HTR7
Salicylic Acid SCHEMBL9023656 0.93 HTR2C (0.55) HTR2CHTR2ADRD2HTR7
SCHEMBL9024751 0.92 HTR2C (0.54) HTR2CHTR2ADRD2HTR7
SCHEMBL9025797 0.90 HTR2C (0.61) HTR2CHTR2ADRD2
Hydrochloric Acid SCHEMBL9024762 0.89 HTR2C (0.60) HTR2CHTR2ADRD2
SCHEMBL9023838 0.85 HTR2C (0.55) HTR2CHTR2ADRD2
Hydrochloric Acid SCHEMBL9023939 0.84 HTR2C (0.54) HTR2CHTR2ADRD2
SCHEMBL9445199 0.84 HTR2C (0.57) HTR2CHTR2ADRD2HTR7
Hydrochloric Acid SCHEMBL9024725 0.83 HTR2C (0.56) HTR2CHTR2ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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