SCHEMBL8848982

SCHEMBL8848982

CCCCCn1c(C)c(CCC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cn2)c1=O.CCCc1c(C)n(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.33
AGTR2 P50052 6/20 0.33
SLC33A1 O00400 3/20 0.33
GNRHR P30968 1/20 0.31

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
SCHEMBL7680753 0.94 AGTR1 (0.36) AGTR1AGTR2SLC33A1
SCHEMBL7676668 0.93 SLC33A1 (0.34) AGTR1AGTR2SLC33A1
SCHEMBL7680462 0.92 AGTR1 (0.33) AGTR1AGTR2SLC33A1
SCHEMBL7683885 0.92 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL7679087 0.91 AGTR1 (0.35) AGTR1AGTR2SLC33A1
SCHEMBL7680331 0.91 AGTR1 (0.36) AGTR1AGTR2SLC33A1
SCHEMBL7682856 0.91 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7686765 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL7683779 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7686177 0.88 SLC33A1 (0.35) AGTR1AGTR2SLC33A1

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-5643906-A LOWERING INTRAOCULAR PRESSURE FOR TREATMENT OF GLAUCOMA G.D. SEARLE & CO. (US) 1997-07-01 US disclosed