SCHEMBL6999312

SCHEMBL6999312

Cn1ccc2c1CCn1ccnc1C2=C1CCN(CCNc2ncccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.61
MKNK1 Q9BUB5 3/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL6996383 0.88 HRH1 (0.61) HRH1
SCHEMBL6990349 0.83 HRH1 (0.68) HRH1
SCHEMBL6991699 0.83 HRH1 (0.68) HRH1
SCHEMBL6986578 0.82 HRH1 (0.59) HRH1
Water SCHEMBL6988769 0.82 HRH1 (0.59) HRH1CYP1A2CYP2D6HSD17B10
SCHEMBL6993352 0.82 HRH1 (0.59) HRH1
Water SCHEMBL6991174 0.81 HRH1 (0.60) HRH1HRH3
Water SCHEMBL9383772 0.81 HRH1 (0.57) HRH1
Water SCHEMBL7140966 0.79 HRH1 (0.52) HRH1TSHR
Water SCHEMBL6994538 0.79 HRH1 (0.62) HRH1

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
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-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