SCHEMBL7144620

SCHEMBL7144620

COC(=O)CCN1CCC(=C2c3sccc3CCn3ccnc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.38
NOTUM Q6P988 1/20 0.34
HTR2A P28223 3/20 0.34
MAPT P10636 1/20 0.34
DRD3 P35462 4/20 0.33
DRD2 P14416 2/20 0.33
KCNA5 P22460 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2A P08913 2/20 0.32
CHRM1 P11229 2/20 0.32
ADRA2B P18089 2/20 0.32
CHRM3 P20309 2/20 0.32
DRD1 P21728 2/20 0.32
HTR2C P28335 2/20 0.32
HTR3A P46098 2/20 0.32
HTR6 P50406 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
SCHEMBL9284502 0.89 HRH1 (0.43) HRH1HTR2AMAPTDRD3DRD2
Water SCHEMBL7159274 0.88 HRH1 (0.43) HRH1HTR2AMAPTDRD3DRD2
SCHEMBL8931334 0.87 MAPT (0.36) HRH1HTR2AMAPTDRD3DRD2
SCHEMBL7139908 0.85 UTS2R (0.35) HRH1HTR2ADRD3DRD2LMNA
SCHEMBL7136336 0.84 HRH1 (0.38) HRH1HTR2ADRD3DRD2LMNA
SCHEMBL8931351 0.84 UTS2R (0.35) HRH1MAPTDRD3TSHRALDH1A1
SCHEMBL7895280 0.83 HRH1 (0.42) HRH1HTR2AMAPTDRD3DRD2
SCHEMBL7139912 0.83 HRH1 (0.44) HRH1HTR2AMAPTDRD3DRD2
SCHEMBL7139634 0.83 HRH1 (0.34) HRH1HTR2ADRD3DRD2KCNA5
SCHEMBL7142052 0.82 HRH1 (0.38) HRH1DRD3DRD2

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-0672047-B1 ANTIALLERGIC IMIDAZO[1,2-a]THIENO[ 2,3-d]AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-05-02 EP disclosed
US-5629308-A Imidazo [1,2-A] (pyrrolo, thieno or furano) [2,3-D] azepine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-13 US disclosed