SCHEMBL7319683

SCHEMBL7319683

CCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3nc(C)ccn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
BCHE P06276 1/20 0.44
HRH3 Q9Y5N1 2/20 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
Hydrochloric Acid SCHEMBL7319896 0.99 THRA (0.45) THRATHRBBCHE
SCHEMBL7316596 0.85 BCHE (0.47) THRATHRBBCHEHRH3
Hydrochloric Acid SCHEMBL7317679 0.84 PKM (0.46) THRATHRBBCHEHRH3
SCHEMBL7319679 0.83 ALOX15 (0.35)
SCHEMBL7677869 0.82 NPC1 (0.58) THRATHRBBCHEHRH3
Hydrochloric Acid SCHEMBL7319888 0.82 ALOX15 (0.35)
SCHEMBL7680783 0.80 HRH3 (0.57) HRH3
SCHEMBL7678308 0.80 ADORA2A (0.56) BCHEHRH3
SCHEMBL7680849 0.78 HRH3 (0.54) THRATHRBBCHEHRH3
SCHEMBL7680444 0.76 HRH3 (0.54) THRATHRBBCHEHRH3

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-4880824-A CARDIOVASCULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed