SCHEMBL6996632

SCHEMBL6996632

CN1CCC(=C2c3cc(Br)n(C)c3CCn3ccnc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.52
CHRM2 P08172 3/20 0.35
HTR1A P08908 3/20 0.35
CHRM1 P11229 3/20 0.35
ADRA1A P35348 3/20 0.35
KCNH2 Q12809 3/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
OPRK1 P41145 1/20 0.35
SETD7 Q8WTS6 5/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
ADRA2A P08913 2/20 0.32
CYP2D6 P10635 2/20 0.32
DRD1 P21728 2/20 0.32
TBXA2R P21731 2/20 0.32
SLC6A2 P23975 2/20 0.32

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
SCHEMBL6996558 0.84 HRH1 (0.47) HRH1CHRM2HTR1ACHRM1ADRA1A
SCHEMBL6996543 0.84 HRH1 (0.47) HRH1CHRM2HTR1ACHRM1ADRA1A
Water SCHEMBL6995236 0.83 HRH1 (0.47) HRH1CHRM2HTR1ACHRM1ADRA1A
SCHEMBL6991201 0.79 HRH1 (0.43) HRH1CHRM2CHRM1DRD2HTR2A
SCHEMBL6991194 0.79 HRH1 (0.43) HRH1CHRM2CHRM1DRD2HTR2A
SCHEMBL6985481 0.77 HRH1 (0.49) HRH1CHRM2HTR1ACHRM1ADRA1A
SCHEMBL6988823 0.77 HRH1 (0.52) HRH1CHRM2HTR1ACHRM1ADRA1A
SCHEMBL5060507 0.76 SETD7 (0.59) HRH1CHRM2HTR1ACHRM1ADRA1A
SCHEMBL6991414 0.76 HRH1 (0.46) HRH1CHRM2HTR1ACHRM1ADRA1A
SCHEMBL6985690 0.76 HRH1 (0.57) HRH1CHRM2HTR1ACHRM1ADRA1A

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