SCHEMBL7136336

SCHEMBL7136336

OCCN1CCC(=C2c3sccc3CCn3ccnc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.38
DRD3 P35462 4/20 0.35
DRD2 P14416 3/20 0.35
LMNA P02545 2/20 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
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR3A P46098 2/20 0.32
HTR6 P50406 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL7142052 0.89 HRH1 (0.38) HRH1DRD3DRD2
SCHEMBL9284502 0.87 HRH1 (0.43) HRH1DRD3DRD2LMNACHRM2
SCHEMBL7139912 0.87 HRH1 (0.44) HRH1DRD3DRD2LMNACHRM2
Water SCHEMBL7159274 0.86 HRH1 (0.43) HRH1DRD3DRD2LMNACHRM2
SCHEMBL7144048 0.85 HRH1 (0.34) HRH1DRD3DRD2
SCHEMBL7139908 0.85 UTS2R (0.35) HRH1DRD3DRD2LMNACHRM2
SCHEMBL7144620 0.84 HRH1 (0.38) HRH1DRD3DRD2LMNACHRM2
SCHEMBL7140276 0.83 HRH1 (0.34) HRH1DRD3DRD2
SCHEMBL7140255 0.83 THRB (0.36) HRH1DRD3DRD2ADRA1DADRA1A
SCHEMBL7139634 0.83 HRH1 (0.34) HRH1DRD3DRD2HTR2AHRH2

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 4 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
EP-0672047-A1 ANTIALLERGIC IMIDAZO 1,2-a](PYRROLO, THIENO OR FURANO) 2,3-d]AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-09-20 EP disclosed
WO-1994013680-A1 ANTIALLERGIC IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[2,3-d]AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed