SCHEMBL9131002

SCHEMBL9131002

CNC(=O)NCCN1CCC(=C2c3ccccc3CCn3ccnc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.40
PTAFR P25105 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
DRD2 P14416 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38

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 SCHEMBL9131896 0.88 HRH1 (0.38) HRH1PTAFRMEN1KMT2APRMT5
Water SCHEMBL9131901 0.88 HRH1 (0.38) HRH1PTAFRMEN1KMT2APRMT5
SCHEMBL6991964 0.85 HRH1 (0.38) HRH1PTAFRPRMT5WDR77DRD2
Water SCHEMBL9383772 0.84 HRH1 (0.57) HRH1MEN1KMT2APOLB
SCHEMBL8931351 0.84 UTS2R (0.35) HRH1MEN1KMT2ATP53ALOX15
SCHEMBL6985767 0.82 DRD3 (0.39) DRD2MAPK1SMN1; SMN2TSHRNPC1
SCHEMBL6991281 0.82 HRH1 (0.43) HRH1PTAFRDRD2CHRM2HTR1A
Iodide SCHEMBL9130959 0.81 PRMT5 (0.34) HRH1PTAFRPRMT5WDR77DRD2
SCHEMBL6995295 0.80 HRH1 (0.43) HRH1PTAFRDRD2CHRM2HTR1A
SCHEMBL5060507 0.79 SETD7 (0.59) HRH1PTAFRMEN1KMT2ATP53

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