SCHEMBL6957151

SCHEMBL6957151

NCCCCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 2/20 0.40
AKT2 P31751 2/20 0.38
HRH1 P35367 4/20 0.37
HTR2A P28223 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
HSD11B1 P28845 1/20 0.34
GP6 Q9HCN6 1/20 0.33

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
SCHEMBL6962988 0.99 MAOA (0.42) MAOAMAOBAKT2HRH1HTR2A
SCHEMBL6951798 0.96 AKT2 (0.41) MAOAMAOBAKT2HTR2ASIGMAR1
SCHEMBL6962359 0.90 MAOB (0.50) MAOBAKT2HTR2AGP6
SCHEMBL6960893 0.88 CA2 (0.35) HSD11B1GP6
SCHEMBL6957576 0.86 GP6 (0.36) HSD11B1GP6
SCHEMBL6956381 0.86 CA2 (0.36) HSD11B1GP6
SCHEMBL6949584 0.86 LTA4H (0.37) MAOBHSD11B1GP6
SCHEMBL6957300 0.85 HSD11B1 (0.47) HSD11B1
SCHEMBL6949197 0.85 HSD11B1 (0.47) HSD11B1
SCHEMBL6956844 0.85 GP6 (0.35) HSD11B1GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed