SCHEMBL27508985

SCHEMBL27508985

NCc1cccc(CCn2ccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.51
CYP11B2 P19099 8/20 0.51
HMOX1 P09601 1/20 0.51
TBXAS1 P24557 4/20 0.48
CYP19A1 P11511 4/20 0.48
KMT2A Q03164 1/20 0.48
ADRA2C P18825 1/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
QPCT Q16769 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
QPCTL Q9NXS2 1/20 0.47

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
SCHEMBL27460992 0.87 TBXAS1 (0.60) CYP11B1CYP11B2HMOX1TBXAS1CYP19A1
SCHEMBL24733003 0.84 CYP11B1 (0.71) CYP11B1CYP11B2TBXAS1CYP19A1ADRA2C
SCHEMBL6991263 0.81 CYP11B1 (0.72) CYP11B1CYP11B2HMOX1TBXAS1CYP19A1
SCHEMBL6988826 0.81 CYP11B1 (0.72) CYP11B1CYP11B2HMOX1TBXAS1CYP19A1
SCHEMBL6987181 0.81 CYP11B1 (0.72) CYP11B1CYP11B2HMOX1TBXAS1CYP19A1
SCHEMBL1719741 0.81 CYP11B1 (0.72) CYP11B1CYP11B2HMOX1CYP19A1ADRA2C
SCHEMBL409741 0.80 HMOX1 (0.72) CYP11B1CYP11B2HMOX1TBXAS1CYP19A1
Bromide SCHEMBL29223796 0.78 HMOX1 (0.70) CYP11B1CYP11B2HMOX1TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL7527357 0.78 HMOX1 (0.70) CYP11B1CYP11B2HMOX1TBXAS1CYP19A1
SCHEMBL6989098 0.78 TP53 (0.57) HMOX1CYP19A1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-1068118-A Imidazo [2, 1-b ] [3] benzazepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 1993-01-20 CN disclosed