SCHEMBL6987181

SCHEMBL6987181

Cc1cccc(CCn2ccnc2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.72
CYP11B2 P19099 5/20 0.72
KMT2A Q03164 3/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HMOX1 P09601 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP19A1 P11511 2/20 0.49
MEN1 O00255 1/20 0.48
TBXAS1 P24557 1/20 0.48

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
SCHEMBL12205 0.84 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL27508985 0.81 CYP11B1 (0.51) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL6991263 0.81 CYP11B1 (0.72) CYP11B1CYP11B2HMOX1CYP19A1TBXAS1
SCHEMBL1719741 0.81 CYP11B1 (0.72) CYP11B1CYP11B2HMOX1CYP19A1
SCHEMBL6988826 0.81 CYP11B1 (0.72) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL6989098 0.81 TP53 (0.57) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6987156 0.80 CYP19A1 (0.69) CYP11B1CYP11B2KMT2AHMOX1CYP19A1
SCHEMBL409741 0.80 HMOX1 (0.72) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL11229525 0.79 CYP11B1 (0.60) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL14492302 0.79 CYP11B1 (0.60) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4

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-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP 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
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