SCHEMBL1833474

SCHEMBL1833474

ON=C(c1ccc(F)cc1F)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
TP53 P04637 2/20 0.37
SLC6A4 P31645 7/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A3 Q01959 6/20 0.36
HTR1A P08908 3/20 0.36
KCNH2 Q12809 1/20 0.36
ACKR3 P25106 1/20 0.36
THRB P10828 1/20 0.35
GPR6 P46095 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL8071415 1.00 L3MBTL1 (0.42) L3MBTL1CES2CES1TP53SLC6A4
SCHEMBL30640891 1.00 L3MBTL1 (0.42) L3MBTL1CES2CES1TP53SLC6A4
SCHEMBL4718081 1.00 L3MBTL1 (0.42) L3MBTL1CES2CES1TP53SLC6A4
Hydrochloric Acid SCHEMBL1833471 0.98 L3MBTL1 (0.41) L3MBTL1CES2CES1TP53SLC6A4
Hydrochloric Acid SCHEMBL1833472 0.98 L3MBTL1 (0.41) L3MBTL1CES2CES1TP53SLC6A4
SCHEMBL8337674 0.83 L3MBTL1 (0.41) L3MBTL1CES2CES1
SCHEMBL28026688 0.82 L3MBTL1 (0.50) L3MBTL1CES2CES1KCNH2ACKR3
SCHEMBL5021047 0.81 ACKR3 (0.48) L3MBTL1CES2CES1ACKR3
SCHEMBL13390925 0.81 ACKR3 (0.48) L3MBTL1CES2CES1ACKR3
SCHEMBL14542094 0.81 L3MBTL1 (0.40) L3MBTL1CES2CES1TP53KCNH2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102796090-B Method for preparing iloperidone TIANJIN HUAJIN PHARMACEUTICAL CO LTD 2015-03-25 CN claimed
WO-2004009591-A1 A PROCESS FOR THE PREPARATION OF ANTIPSYCHOTIC RISPERIDONE AUROBINDO PHARMA LTD. (IN) 2004-01-29 WO claimed
CN-111393425-B Preparation method of 6-fluoro-3-piperidine-4-yl-1, 2-benzisoxazole hydrochloride 浙江京新药业股份有限公司 2021-11-26 CN disclosed
CN-111393425-A Preparation method of 6-fluoro-3-piperidine-4-yl-1, 2-benzisoxazole hydrochloride 浙江京新药业股份有限公司 2020-07-10 CN disclosed
CN-104557918-A Method for preparing benzisoxazole antipsychotic drug risperidone REYOUNG PHARMACEUTICAL CO LTD 2015-04-29 CN disclosed
CN-102796090-B Method for preparing iloperidone TIANJIN HUAJIN PHARMACEUTICAL CO LTD 2015-03-25 CN disclosed
CN-102796090-B Method for preparing iloperidone TIANJIN HUAJIN PHARMACEUTICAL CO LTD 2015-03-25 CN disclosed
CN-102206210-B Method for producing 6-fluoro-3-(4-piperidine)-1,2-benzoisoxazole hydrochloride CHANGZHOU NO 4 PHARMACEUTICAL FACTORY CO LTD 2014-07-02 CN disclosed
CN-102443000-B Preparation method of iloperidone TIANJIN INST PHARM RESEARCH 2014-07-02 CN disclosed
US-8653069-B2 Aralkyl substituted piperidine or piperazine derivatives and their use for treating schizophrenia JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2014-02-18 US disclosed
CN-102796090-A Method for preparing iloperidone TIANJIN HUAJIN PHARMACEUTICAL CO LTD 2012-11-28 CN disclosed
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed
EP-0428437-A1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-05-22 EP disclosed
US-4528376-A 3-(4-Piperidyl)-1,2-benzisoxazoles HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-07-09 US disclosed
US-4469869-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1984-09-04 US disclosed
US-4408053-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US disclosed
US-4408054-A ANALGESTICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US disclosed
EP-0080104-A2 3-(4-Piperidyl)-1,2-benzisoxazoles, process for the preparation thereof, and a pharmaceutical composition comprising the same HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-01 EP disclosed
US-4355037-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1982-10-19 US disclosed