SCHEMBL9130545

SCHEMBL9130545

Nc1ccncc1NC(=S)NCCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
KDM4E B2RXH2 5/20 0.33
HTT P42858 4/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH1 P35367 4/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 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
SCHEMBL9258789 0.87 HRH1 (0.49) LMNAKDM4EACHEHRH1NPC1
SCHEMBL6991964 0.83 HRH1 (0.38) LMNAHRH1FNTAFNTBCHRM2
Water SCHEMBL9131896 0.82 HRH1 (0.38) LMNAKDM4EHTTACHEMAPT
Water SCHEMBL9131901 0.82 HRH1 (0.38) LMNAKDM4EHTTACHEMAPT
SCHEMBL9386713 0.77 LMNA (0.33) LMNAKDM4EHTTACHEMAPT
SCHEMBL9131002 0.76 HRH1 (0.40) KDM4EMAPTALDH1A1HRH1FNTA
SCHEMBL6991281 0.75 HRH1 (0.43) LMNAHTTHRH1FNTAFNTB
SCHEMBL6995295 0.73 HRH1 (0.43) LMNAHRH1FNTAFNTBCHRM2
SCHEMBL9131247 0.73 TSHR (0.41) LMNAKDM4EMAPTALDH1A1HRH1
SCHEMBL7088377 0.72 HRH1 (0.35) LMNAACHEHRH1CHRM2HTR1A

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
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-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed