SCHEMBL6986579

SCHEMBL6986579

CCOC(=O)c1cccn1CCN1CCC(=C2c3ccn(C)c3CCn3ccnc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.52
EPHX2 P34913 7/20 0.33
KCNH2 Q12809 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR2A P28223 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
CACNA1F O60840 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
ABCB1 P08183 1/20 0.31

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
SCHEMBL6995581 0.90 HRH1 (0.57) HRH1HTR2AHTR1ADRD2
SCHEMBL6989903 0.87 HRH1 (0.45) HRH1EPHX2KCNH2HTR2ASMN1; SMN2
SCHEMBL6991699 0.81 HRH1 (0.68) HRH1HTR2AHTR1ADRD2
Water SCHEMBL6994538 0.78 HRH1 (0.62) HRH1HTR2ASMN1; SMN2MAPK1HTR2B
SCHEMBL6990349 0.77 HRH1 (0.68) HRH1HTR2AHTR1ADRD2
Water SCHEMBL6988769 0.76 HRH1 (0.59) HRH1MEN1CYP2D6CYP2C9KMT2A
Water SCHEMBL9129109 0.75 HRH1 (0.38) HRH1KCNH2HTR2AMAPTHTR1A
Water SCHEMBL6988465 0.75 HRH1 (0.38) HRH1KCNH2HTR2AMAPTHTR1A
Water SCHEMBL9383772 0.74 HRH1 (0.57) HRH1MEN1KMT2ANPSR1POLB
SCHEMBL6999312 0.74 HRH1 (0.61) HRH1HRH3CYP3A4CYP2D6TSHR

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