SCHEMBL6991964

SCHEMBL6991964

NC(=S)NCCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.38
DRD2 P14416 3/20 0.37
KCNH2 Q12809 3/20 0.37
HTR2A P28223 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SETD7 Q8WTS6 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PTAFR P25105 2/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
DRD3 P35462 3/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 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
Water SCHEMBL9131901 0.88 HRH1 (0.38) HRH1DRD2KCNH2HTR2ACHRM2
Water SCHEMBL9131896 0.88 HRH1 (0.38) HRH1DRD2KCNH2HTR2ACHRM2
SCHEMBL9131002 0.85 HRH1 (0.40) HRH1DRD2KCNH2HTR2ACHRM2
SCHEMBL6993352 0.83 HRH1 (0.59) HRH1
SCHEMBL6991281 0.83 HRH1 (0.43) HRH1DRD2KCNH2HTR2ACHRM2
SCHEMBL9130545 0.83 LMNA (0.34) HRH1DRD2KCNH2HTR2ACHRM2
SCHEMBL6995295 0.81 HRH1 (0.43) HRH1DRD2KCNH2HTR2ACHRM2
SCHEMBL6984394 0.80 HRH1 (0.42) HRH1DRD2KCNH2HTR2ACHRM2
SCHEMBL6985767 0.80 DRD3 (0.39) DRD2DRD3NPC1TSHRMAPK1
SCHEMBL7088377 0.79 HRH1 (0.35) HRH1DRD2KCNH2HTR2ACHRM2

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 2 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
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