SCHEMBL6985481

SCHEMBL6985481

Cc1ccc2c(c1)CCn1ccnc1C2=C1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.49
PTAFR P25105 1/20 0.45
CHRM2 P08172 3/20 0.40
HTR1A P08908 3/20 0.40
CHRM1 P11229 3/20 0.40
ADRA1A P35348 3/20 0.40
KCNH2 Q12809 3/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
OPRK1 P41145 1/20 0.40
SETD7 Q8WTS6 5/20 0.39
ADRA2A P08913 2/20 0.35
CYP2D6 P10635 2/20 0.35
DRD1 P21728 2/20 0.35
TBXA2R P21731 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL6989716 0.88 HRH1 (0.50) HRH1PTAFRCHRM2KCNH2HTR2A
SCHEMBL5056412 0.88 HRH1 (0.47) HRH1PTAFRCHRM2HTR1ACHRM1
SCHEMBL6988212 0.85 PTAFR (0.47) HRH1PTAFRCHRM2HTR1ACHRM1
SCHEMBL5060507 0.84 SETD7 (0.59) HRH1PTAFRCHRM2HTR1ACHRM1
SCHEMBL6988099 0.82 HRH1 (0.42) HRH1PTAFRADRA1AKCNH2ADRA1D
SCHEMBL5060492 0.80 HRH1 (0.47) HRH1PTAFRCHRM2HTR1ACHRM1
Fumaric Acid SCHEMBL9243112 0.78 HRH1 (0.48) HRH1PTAFRCHRM2CHRM1DRD2
SCHEMBL6996632 0.77 HRH1 (0.52) HRH1CHRM2HTR1ACHRM1ADRA1A
SCHEMBL6988823 0.77 HRH1 (0.52) HRH1CHRM2HTR1ACHRM1ADRA1A
SCHEMBL6991414 0.76 HRH1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed