SCHEMBL9024259

SCHEMBL9024259

O=C1c2c(-c3ccccc3)noc2CCC1CN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
OPRD1 P41143 1/20 0.43
HTR2B P41595 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CCR6 P51684 1/20 0.41
HTR1A P08908 2/20 0.38

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
SCHEMBL9688292 0.90 METAP1 (0.41) LMNADCTPP1HTR1ASIGMAR1HSD17B10
SCHEMBL9688686 0.88 ACHE (0.44) DCTPP1HTR1ASIGMAR1ADORA2AADORA1
Hydrochloric Acid SCHEMBL9445252 0.88 METAP1 (0.41) LMNADCTPP1HTR1ASIGMAR1HSD17B10
Hydrochloric Acid SCHEMBL9445255 0.88 METAP1 (0.41) LMNADCTPP1HTR1ASIGMAR1HSD17B10
SCHEMBL9445162 0.87 DCTPP1 (0.41) LMNADCTPP1SIGMAR1TSHRALDH1A1
Hydrochloric Acid SCHEMBL9445168 0.87 ACHE (0.43) DCTPP1HTR1ASIGMAR1ADORA2AADORA1
SCHEMBL9025330 0.79 DRD2 (0.41) DRD2HTR2AHTR7DCTPP1HTR1A
SCHEMBL9445210 0.78 DCTPP1 (0.39) DRD2HTR2ADRD3DCTPP1HTR1A
SCHEMBL9023761 0.78 MAPK10 (0.40) DRD2DRD3DCTPP1ADORA2AADORA1
SCHEMBL9445145 0.77 PTGS2 (0.39) ADRA2AADRA2BADRA2CHTR7ADRA1A

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