SCHEMBL11508451

SCHEMBL11508451

Cc1cc(OC(=O)c2ccc(OC(F)(F)F)cc2)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 8/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ PDE2A O00408 5/20 0.39
▸ GIPR P48546 3/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ P2RY1 P47900 1/20 0.38
▸ GPR139 Q6DWJ6 2/20 0.36

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
SCHEMBL11509267 0.85 KDM4E (0.40) —
SCHEMBL11507933 0.84 MDM2 (0.39) GCGRGPR139
SCHEMBL11509376 0.84 S1PR3 (0.43) —
SCHEMBL11507137 0.83 PTGS1 (0.37) GCGRGIPRGPR139
SCHEMBL11509813 0.82 S1PR3 (0.37) GCGRGIPR
SCHEMBL11509749 0.82 MAPT (0.39) —
SCHEMBL11509317 0.82 EGLN1 (0.36) TRPV1PDE2APTGER4GPR139
SCHEMBL11507587 0.82 POLB (0.39) —
SCHEMBL11510067 0.80 S1PR4 (0.40) —
SCHEMBL11509784 0.80 PTGS1 (0.38) GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160098-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1979-07-03 — — US disclosed
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122279-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
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