SCHEMBL9689077

SCHEMBL9689077

O=C1c2c(-c3cccc(F)c3)noc2CCC1CCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
HTR2A P28223 5/20 0.43
HTR2C P28335 4/20 0.43
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
HTR1A P08908 2/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL9025209 0.92 DRD2 (0.43) DRD2HTR2AHTR2CPARP1PARP2
Hydrochloric Acid SCHEMBL9024139 0.91 DRD2 (0.43) DRD2HTR2AHTR2CPARP1PARP2
SCHEMBL9025050 0.87 HTR2C (0.53) DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL9024955 0.86 HTR2C (0.52) DRD2HTR2AHTR2C
SCHEMBL9024345 0.81 HTR7 (0.43) DRD2HTR2AHTR2CHTR1A
SCHEMBL9701571 0.79 HTR2C (0.34) DRD2HTR2AHTR2CHTR1A
SCHEMBL9024351 0.79 SLC6A2 (0.44) DRD2HTR2AHTR2C
SCHEMBL9023838 0.79 HTR2C (0.55) DRD2HTR2AHTR2C
SCHEMBL9445150 0.78 HTR7 (0.41) DRD2HTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL9023939 0.78 HTR2C (0.54) DRD2HTR2AHTR2C

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 1 patent. 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