SCHEMBL9024282

SCHEMBL9024282

O=C1c2c(-c3ccccc3F)noc2CCC1CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
HTR2C P28335 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39

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 SCHEMBL9024511 0.98 HTR7 (0.41) HTR7GRIN1GRIN2BHTR2CKDM4E
SCHEMBL9024010 0.88 KCNH2 (0.44) HTR7HTR1ADRD2HTR2A
SCHEMBL9024561 0.88 HTR1A (0.45) HTR7HTR2CHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9024250 0.88 KCNH2 (0.43) HTR7HTR1ADRD2HTR2A
SCHEMBL9024721 0.87 ADRA1A (0.42) HTR7HTR2CHTR1ADRD2HTR2A
SCHEMBL9688546 0.87 HTR2C (0.56) HTR7HTR2CKDM4EHTR1ADRD2
SCHEMBL9024223 0.86 HTR2C (0.50) HTR7HTR2CHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9023951 0.86 HTR2C (0.55) HTR7HTR2CKDM4EHTR1ADRD2
SCHEMBL9023464 0.85 HTR2C (0.57) HTR7HTR2CKDM4EDRD2HTR2A
Hydrochloric Acid SCHEMBL9023876 0.84 HTR2C (0.56) HTR7HTR2CKDM4EDRD2HTR2A

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