SCHEMBL6991194

SCHEMBL6991194

CN1CCC(=C2c3cc(/C=C/C(=O)O)n(C)c3CCn3ccnc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.43
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL6991201 1.00 HRH1 (0.43) HRH1CYP3A4HTTMAPK1MEN1
SCHEMBL6996558 0.85 HRH1 (0.47) HRH1CHRM2CHRM1DRD2HTR2A
Water SCHEMBL6995236 0.82 HRH1 (0.47) HRH1CYP3A4HTTCHRM2CHRM1
SCHEMBL6996632 0.79 HRH1 (0.52) HRH1HTTMEN1KMT2AMAPT
SCHEMBL6996543 0.77 HRH1 (0.47) HRH1CHRM2CHRM1DRD2HTR2A
Fumaric Acid SCHEMBL9282740 0.76 MAPK1 (0.60) HRH1CYP3A4HTTMAPK1MEN1
Fumaric Acid SCHEMBL9243112 0.74 HRH1 (0.48) HRH1CYP3A4HTTMAPK1MEN1
SCHEMBL6985690 0.73 HRH1 (0.57) HRH1CYP3A4HTTCHRM2CHRM1
SCHEMBL5060492 0.69 HRH1 (0.47) HRH1HTTCHRM2CHRM4CHRM5
SCHEMBL5056412 0.69 HRH1 (0.47) HRH1HTTCHRM2CHRM4CHRM5

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