SCHEMBL7140255

SCHEMBL7140255

c1ccc(CCN2CCC(=C3c4sccc4CCn4ccnc43)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
HRH1 P35367 2/20 0.34
TP53 P04637 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL7136336 0.83 HRH1 (0.38) HRH1ADRA1DADRA1ADRD2DRD3
SCHEMBL7142052 0.83 HRH1 (0.38) HRH1DRD2DRD3
SCHEMBL7140276 0.82 HRH1 (0.34) HRH1DRD2DRD3
SCHEMBL7144048 0.82 HRH1 (0.34) HRH1DRD2DRD3
SCHEMBL7139912 0.81 HRH1 (0.44) HRH1TP53ADRA1DADRA1AADRA1B
SCHEMBL9284502 0.80 HRH1 (0.43) HRH1ADRA1DADRA1ADRD2DRD3
Water SCHEMBL7159274 0.79 HRH1 (0.43) HRH1ADRA1DADRA1ADRD2DRD3
SCHEMBL7139908 0.78 UTS2R (0.35) HRH1DRD2DRD3OPRM1
SCHEMBL7172076 0.77 ALDH1A1 (0.39) HRH1TP53ADRA1DADRA1ADRD2
SCHEMBL7144620 0.77 HRH1 (0.38) HRH1ADRA1DADRA1ADRD2DRD3

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