SCHEMBL7765422

SCHEMBL7765422

[c]1cccc2c1-c1[c]cccc1C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.32
CYP1A2 P05177 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23194 0.84 MAOA (0.46) MAOAMAOBCYP3A4TSHRCYP1A2
SCHEMBL2879492 0.83 TSHR (0.35) TSHR
SCHEMBL2885325 0.79 TSHR (0.50) MAOAMAOBTSHR
SCHEMBL2796780 0.77 MAOA (0.41) MAOACYP3A4TSHRCYP1A2HSD17B10
SCHEMBL217954 0.76 TSHR (0.38) MAOACYP3A4TSHRHSD17B10
SCHEMBL814892 0.73 KDM4E (0.36) CYP3A4TSHRHSD17B10
SCHEMBL5420509 0.72
SCHEMBL2551780 0.72 MAOA (0.41) MAOAMAOBCYP3A4TSHR
SCHEMBL319460 0.72 CYP1A2 (0.39) MAOAMAOBCYP3A4TSHRHTR2A
SCHEMBL22635709 0.71 ESR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772578-B1 METHOD OF PRODUCING ACYLOINES BASF AG (DE) 2001-09-19 EP disclosed
EP-0786456-B1 Addition compounds of triazolium- or tetrazolium-salts BASF AG (DE) 1999-05-06 EP disclosed
US-5831097-A TRIAZOLIUM SALT REACTIVE CATALYST, ALDEHYDE CONDENSATION BASF AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0587044-B1 Method for the catalytic production of formaldehyde condensation products BASF AG (DE) 1998-01-14 EP disclosed
EP-0786456-A2 Addition compounds of triazolium- or tetrazolium-salts BASF AKTIENGESELLSCHAFT (DE) 1997-07-30 EP disclosed
EP-0772578-A1 METHOD OF PRODUCING ACYLOINES BAYER AG (DE) 1997-05-14 EP disclosed
US-5585496-A REACTING TRIAZOLIUM SALT WITH ALKANOLATE OR THIOLATE TO FORM ADDITION COMPOUND USED AS CATALYST FOR FORMALDEHYDE CONDENSATION BASF AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5508422-A USEFUL AS CATALYSTS IN FORMING CONDENSATION PRODUCTS OF FORMALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
EP-0580956-B1 Process for the catalytic preparation of condensation products of formaldehyde BASF AG (DE) 1996-03-06 EP disclosed
WO-1996002484-A1 METHOD OF PRODUCING ACYLOINES BASF AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed
US-5386062-A Triazole or tetrazole compounds BASF AKTIENGESELLSCHAFT (DE) 1995-01-31 US disclosed
US-5298668-A Forming glycolaldehyde, glyceraldehyde and C4 or C5 sugars by condensation in the presence of mesoionic catalyst BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0587044-A2 Method for the catalytic production of formaldehyde condensation products BASF Aktiengesellschaft (DE) 1994-03-16 EP disclosed
EP-0580956-A1 Process for the catalytic preparation of condensation products of formaldehyde BASF Aktiengesellschaft (DE) 1994-02-02 EP disclosed
US-4104194-A 1,2-FUSED 5- OR 6-MEMBERED 1,3-DINITROGEN HETEROCYCLIC COMPOUNDS AS ANTICORROSION AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4048174-A ANTI-CORROSION AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed