SCHEMBL6994652

SCHEMBL6994652

Cc1cncn1CCc1cccn1C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 16/20 0.40
TSHR P16473 1/20 0.40
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GSK3B P49841 2/20 0.36

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
SCHEMBL6989844 0.75 TSHR (0.48) QPCTTSHRCYP19A1CYP11B1CYP11B2
SCHEMBL6997229 0.70 TBXAS1 (0.50) CYP19A1
SCHEMBL4483111 0.70 TSHR (0.42) QPCTTSHRCYP19A1CYP11B1CYP11B2
SCHEMBL6991916 0.70 CYP3A4 (0.34) TSHR
SCHEMBL329374 0.70 ALDH1A1 (0.46) QPCTCYP19A1CYP11B1CYP11B2
SCHEMBL15453315 0.69
SCHEMBL5657481 0.69
SCHEMBL8211009 0.69 EGLN3 (0.44) TSHRCYP19A1
SCHEMBL8591844 0.68 QPCT (0.43) QPCTCYP19A1CYP11B1CYP11B2
SCHEMBL16268073 0.68 QPCT (0.47) QPCT

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-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed