SCHEMBL4672823

SCHEMBL4672823

O=C(c1ccc(F)cc1F)C1CC[N]CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
NPY2R P49146 1/20 0.49
CPS1 P31327 1/20 0.43
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 1/20 0.38
GPR6 P46095 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
SCHEMBL6141006 0.88 L3MBTL1 (0.61) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL28026635 0.82 L3MBTL1 (0.55) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL28026637 0.82 L3MBTL1 (0.55) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL4672830 0.82 CES2 (0.52) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL4674606 0.81 KEAP1 (0.51) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL8917695 0.81 HSD11B1 (0.47) MEN1KMT2AALDH1A1CPS1HSD11B1
Hydrochloric Acid SCHEMBL1836446 0.81 CES2 (0.50) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL7232907 0.79 L3MBTL1 (0.49) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL4673461 0.79 GAA (0.39) CES2CES1MEN1KMT2AL3MBTL1
SCHEMBL13390919 0.78 HTR1F (0.57) CES2CES1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed