SCHEMBL11375199

SCHEMBL11375199

O=C1NN=C(c2ccc(C3CCCC3)cc2)C2CC12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.55
KCNH2 Q12809 3/20 0.52
ADRA2C P18825 2/20 0.48
SLC6A3 Q01959 2/20 0.48
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
GPR119 Q8TDV5 3/20 0.44
NOTUM Q6P988 1/20 0.43

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
SCHEMBL11381564 0.99 HRH3 (0.54) HRH3KCNH2ADRA2CSLC6A3PDE4A
SCHEMBL10995561 0.78 HRH3 (0.53) HRH3KCNH2ADRA2CSLC6A3GPR119
SCHEMBL11374409 0.78 GPR119 (0.63) HRH3KCNH2ADRA2CSLC6A3GPR119
SCHEMBL11366599 0.78 GPR119 (0.63) HRH3KCNH2ADRA2CSLC6A3PDE4A
SCHEMBL11365384 0.78 HRH3 (0.51) HRH3KCNH2ADRA2CSLC6A3GPR119
SCHEMBL11368296 0.78 GPR119 (0.61) HRH3KCNH2ADRA2CSLC6A3GPR119
SCHEMBL11369319 0.78 HRH3 (0.51) HRH3KCNH2ADRA2CSLC6A3GPR119
SCHEMBL11369154 0.78 GPR119 (0.60) HRH3KCNH2ADRA2CSLC6A3GPR119
Hydrochloric Acid SCHEMBL11367458 0.77 HRH3 (0.52) HRH3KCNH2ADRA2CSLC6A3GPR119
SCHEMBL11371714 0.75 PTPN1 (0.56) HRH3KCNH2ADRA2CSLC6A3

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
US-4271163-A HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1981-06-02 US disclosed