SCHEMBL7873570

SCHEMBL7873570

C1=NCCNc2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.34
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
AXL P30530 1/20 0.31
NUDT1 P36639 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL161716 0.80 NOS2 (0.33) AXLNUDT1
SCHEMBL5471703 0.72 NISCH (0.35) NISCHADRA2AADRA2BADRA2C
SCHEMBL15088134 0.68 GRIN2D (0.33)
SCHEMBL902843 0.68 NISCH (0.36) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL7835774 0.67
SCHEMBL516458 0.64 SMN1; SMN2 (0.41)
SCHEMBL30643348 0.64 ITGB2 (0.37)
SCHEMBL31408049 0.64 MEN1 (0.32)
SCHEMBL1938638 0.64 CYP1A2 (0.31)
SCHEMBL14989970 0.64 AXL (0.32) AXLNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO claimed
US-4009271-A 6-AZA-3H-1,4-BENZODIAZEPINES DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-02-22 US claimed
US-6313176-B1 SELECTING AN IRREVERSIBLE ENZYME INHIBITOR AS A MEDICAMENT THAT IS METABOLIZED INTO AN UNWANTED OR ADVERSIVE METABOLITE; PLACING IRREVERSIBLE ENZYME INHIBITOR IN A SUITABLE FORMULATION; ADMINISTERING FORMULATION FOR THERAPY ELLINWOOD JR EVERETT J (US) 2001-11-06 US disclosed
US-6140323-A SELECTING DRUG; PLACING FOR INHALATION OR SKIN ADMINISTRATION FORMAULATION; ADMINISTERING FORMULATION SO AS TO BYPASS GASTROINTESTINAL ABSORPTION AND PORTAL VEIN ENTRY TO LIVER TO DECREASE FORMATION OF UNWANTED METABOLITE ELLINWOOD JR EVERETT H (US) 2000-10-31 US disclosed
US-6048857-A TRIFLUOROBENZODIAZEPINE ELLINWOOD JR EVERETT H (US) 2000-04-11 US disclosed
US-5739136-A BUCCAL OR SUBLINGUAL DRUG DELIVERY TO BYPASS INTESTINAL METABOLISM WHICH WOULD FORM ADVERSE METABOLITES OF THE DRUG; SIDE EFFECT REDUCTION ELLINWOOD JR EVERETT H (US) 1998-04-14 US disclosed
US-5504086-A MAXIMIZING ANTIANXIETY, ANTICONVULSANT AND/OR HYPNOTIC EFFECTS; HUMAN CENTRAL NERVOUS SYSTEM; SIDE EFFECT REDUCTION ELLINWOOD JR EVERETT H (US) 1996-04-02 US disclosed
US-5354780-A Reduce anxiety and convulsions ELLINWOOD EVERETT H (US) 1994-10-11 US disclosed
US-5198436-A Administering by mouth medicine for central nervous systems ELLINWOOD JR EVERETT H (US) 1993-03-30 US disclosed
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO disclosed
US-RE31071-E 6-Aza-3H-1,4-benzodiazepines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1982-11-02 US disclosed
US-RE31071-E 6-Aza-3H-1,4-benzodiazepines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1982-11-02 US disclosed
US-4009271-A 6-AZA-3H-1,4-BENZODIAZEPINES DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-02-22 US disclosed
US-4009271-A 6-AZA-3H-1,4-BENZODIAZEPINES DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-02-22 US disclosed
US-4008223-A SPASMOLYTIC, ANTIPHLOGISTIC, TRANQUILIZER DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-02-15 US disclosed
US-4008223-A SPASMOLYTIC, ANTIPHLOGISTIC, TRANQUILIZER DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-02-15 US disclosed
US-3941775-A 6-Aza-3H-1,4-benzodiazepines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-03-02 US disclosed
US-3941775-A 6-Aza-3H-1,4-benzodiazepines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-03-02 US disclosed
US-3917629-A Certain 2-oxy-5-phenyl-6-aza-7-chloro-1,2-dihydro-3H-1,4-benzodiazepines DEGUSSA 1975-11-04 US disclosed