SCHEMBL5680486

SCHEMBL5680486

CC1(C)C(=O)Nc2ccc(C(=O)CCl)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.50
CBX7 O95931 2/20 0.45
CDYL Q9Y232 2/20 0.45
CDYL2 Q8N8U2 1/20 0.45
CDY1; CDY1B Q9Y6F8 1/20 0.45
ALDH1A1 P00352 3/20 0.45
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
MAPT P10636 1/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.44
F2 P00734 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.43
MAOB P27338 2/20 0.43
NEK2 P51955 2/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL507553 0.88 PGR (0.48) PGRCBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL31117105 0.86 PGR (0.51) PGRCBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL7379550 0.86 PGR (0.51) PGRCBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL1874397 0.81 PGR (0.55) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL10691559 0.79 AKR1B1 (0.42) CBX7CDYLCDYL2CDY1; CDY1BALDH1A1
SCHEMBL7417490 0.78 PGR (0.50) PGRALDH1A1MAPTPDE3BPDE3A
SCHEMBL6450714 0.78 HDAC3 (0.56) CBX7CDYLCDYL2CDY1; CDY1BALDH1A1
SCHEMBL7428186 0.78 PGR (0.49) PGRPDK2PDK4PDE3BPDE3A
Hydrochloric Acid SCHEMBL7269178 0.77 PGR (0.46) PGRCBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL29041890 0.77 PGR (0.51) PGRALDH1A1PDK2PDK4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP disclosed
EP-1633361-A1 ANXIETY TREATMENTS WITH ZIPRASIDONE Pfizer Products Inc. (US) 2006-03-15 EP disclosed
EP-1626722-A1 METHOD FOR ENHANCING COGNITION USING ZIPRASIDONE Pfizer Products Inc. (US) 2006-02-22 EP disclosed
EP-1626723-A1 TREATMENT OF BIPOLAR DISORDERS AND ASSOCIATED SYMPTOMS Pfizer Products Inc. (US) 2006-02-22 EP disclosed
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO disclosed
WO-2004100955-A1 ANXIETY TREATMENTS WITH ZIPRASIDONE PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
WO-2004100956-A1 METHOD FOR ENHANCING COGNITION USING ZIPRASIDONE PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
WO-2004100957-A1 TREATMENT OF BIPOLAR DISORDERS AND ASSOCIATED SYMPTOMS PFIZER PRODUCTS INC. (US) 2004-11-25 WO disclosed
EP-0497852-B1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-12-20 EP disclosed
EP-0370381-B1 2(1H)-quinolinone compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-05-10 EP disclosed
EP-0497852-A1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM. BOEHRINGER MANNHEIM GMBH (DE) 1992-08-12 EP disclosed
US-5034401-A Cardiovascular disorders or antiischemia agents SYNTHELABO (FR) 1991-07-23 US disclosed
WO-1991006545-A1 BICYCLO-IMIDAZOLES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1991-05-16 WO disclosed
US-4988698-A Cardiovascular disorders, hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed
US-4933336-A Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease LABORATOIRES SOBIO S.A. (FR) 1990-06-12 US disclosed
EP-0370381-A2 2(1H)-quinolinone compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-30 EP disclosed
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP disclosed