SCHEMBL6989844

SCHEMBL6989844

Cc1cncn1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.47
QPCT Q16769 10/20 0.46
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
IDO1 P14902 1/20 0.45
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ADORA2A P29274 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL14416041 0.82 QPCT (0.50) QPCT
SCHEMBL6496747 0.81 CYP11B1 (0.63) QPCTCYP11B1CYP11B2IDO1CYP19A1
SCHEMBL14416032 0.79 MEN1 (0.47) QPCTIDO1
SCHEMBL2780498 0.79 HTT (0.47) HTTCYP11B1CYP11B2IDO1ALDH1A1
SCHEMBL1501884 0.77 CYP11B1 (0.70) HTTCYP11B1CYP11B2IDO1ADORA2A
SCHEMBL4483111 0.77 TSHR (0.42) TSHRQPCTCYP11B1CYP11B2IDO1
SCHEMBL6599807 0.76 CYP11B1 (0.55) HTTCYP11B1CYP11B2IDO1ALDH1A1
SCHEMBL8542377 0.75 HRH3 (0.53)
SCHEMBL6994652 0.75 QPCT (0.40) TSHRQPCTCYP11B1CYP11B2CYP19A1
SCHEMBL14415972 0.75 CYP11B1 (0.50) HTTCYP11B1CYP11B2IDO1ADORA2A

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