SCHEMBL7597438

SCHEMBL7597438

O=C1CN=C(C2CCCCC2)c2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.52
GABRA5 P31644 7/20 0.52
GABRA3 P34903 7/20 0.52
GABRA2 P47869 6/20 0.52
GABRB2 P47870 5/20 0.52
GABRG2 P18507 5/20 0.52
GABRB3 P28472 5/20 0.52
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
LMNA P02545 3/20 0.40
PDE4D Q08499 2/20 0.40
CNR1 P21554 1/20 0.40
NTSR1 P30989 1/20 0.40

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
SCHEMBL8775047 0.98 GABRA1 (0.54) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL22605562 0.87 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11820041 0.81 CNR1 (0.54) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL21272229 0.78 CHRM1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8537085 0.74 NOS2 (0.38) LMNATSHRPTPRCPTPRFPTPN1
SCHEMBL8537088 0.74 NOS2 (0.38) LMNATSHRPTPRCPTPRFPTPN1
SCHEMBL8726547 0.74 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL4701849 0.74 NOS2 (0.38) LMNATSHRPTPRCPTPRFPTPN1
SCHEMBL5320501 0.73 CES2 (0.41) LMNAPDE4DOPRK1TSHRPTPRC
SCHEMBL5325094 0.73 CES2 (0.41) LMNAPDE4DOPRK1TSHRPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002099388-A2 BENZODIAZEPINE BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2002-12-12 WO disclosed
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
US-5593642-A CONTAINMENT OF SOLID SUPPORT WITHIN A GAS DISPERSION TUBE WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996030393-A1 A METHOD FOR THE SYNTHESIS OF MIXTURES OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 US disclosed