SCHEMBL27560643

SCHEMBL27560643

O=C(O)Cc1ccc(OCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1.c1cc(OCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc(-c2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
CCR2 P41597 3/20 0.45
ADRA1D P25100 4/20 0.43
HRH1 P35367 1/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL6780816 0.90 SLC2A1 (0.53) SLC2A1CCR2ADRA1DSLC6A4
SCHEMBL6776929 0.86 ADRA1D (0.58) SLC2A1CCR2ADRA1DSLC6A4
SCHEMBL6786078 0.83 ADRA1D (0.55) SLC2A1CCR2ADRA1DSLC6A4
SCHEMBL6776745 0.81 HRH1 (0.56) SLC2A1CCR2ADRA1DHRH1SLC6A4
SCHEMBL6782098 0.79 SLC2A1 (0.51) SLC2A1CCR2ADRA1DSLC6A4
SCHEMBL7157321 0.79 HRH2 (0.42) SLC2A1CCR2
Hydrochloric Acid SCHEMBL9029888 0.76 ADRA1D (0.71) SLC2A1ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL9031498 0.71 ADRA1D (0.65) SLC2A1ADRA1DSLC6A4
SCHEMBL6779774 0.71 HRH2 (0.59) SLC2A1CCR2ADRA1DHRH1SLC6A4
SCHEMBL6385498 0.67 KCNH2 (0.56) ADRA1DSLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1368969-A Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA SA (ES) 2002-09-11 CN claimed