SCHEMBL6986190

SCHEMBL6986190

Brc1ccc(CCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.79
CYP19A1 P11511 3/20 0.69
CYP11B1 P15538 1/20 0.69
CYP11B2 P19099 1/20 0.69
TBXAS1 P24557 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPK1 P28482 1/20 0.59
NOS1 P29475 1/20 0.56

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
SCHEMBL11404089 0.90 HMOX1 (0.91) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL9996131 0.88 HMOX1 (1.00) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
Hydrochloric Acid SCHEMBL410683 0.87 HMOX1 (0.97) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL28844163 0.87 HMOX1 (0.97) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL570591 0.83 CYP11B1 (0.66) HMOX1CYP19A1CYP11B1TBXAS1KMT2A
SCHEMBL16719036 0.82 CYP19A1 (0.81) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL27460992 0.82 TBXAS1 (0.60) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL10788342 0.82 TBXAS1 (0.65) HMOX1CYP19A1TBXAS1KMT2A
SCHEMBL6987156 0.82 CYP19A1 (0.69) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL4316370 0.82 CYP11B1 (0.69) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
CN-1070368-C A method for preparing a medical composition conpaining imidazo[2,1-b][3] benzo azepine dericvants JANSSEN PHARMACEUTICA NV (BE) 2001-09-05 CN disclosed
CN-1142360-A A method for preparing a medical composition conpaining imidazo[2,1-b][3] benzo azepine dericvants YUAN ANLING (CN) 1997-02-12 CN disclosed
CN-1033586-C Imidazo [2, 1-b ] [3] benzazepine derivatives and their use as anti-inflammatory agents JANSSEN PHARMACEUTICA NV (BE) 1996-12-18 CN disclosed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
CN-1068118-A Imidazo [2, 1-b ] [3] benzazepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 1993-01-20 CN disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed