SCHEMBL11506946

SCHEMBL11506946

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 16/20 0.42
▸ BRD4 O60885 1/20 0.40
▸ PDE9A O76083 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.37

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
SCHEMBL11506982 0.89 SLC2A1 (0.37) —
SCHEMBL11509317 0.84 EGLN1 (0.36) PDE2A
SCHEMBL11507511 0.83 GPR139 (0.35) PDE2A
SCHEMBL11612817 0.76 HSD17B10 (0.38) —
SCHEMBL11613245 0.75 P2RY14 (0.47) PTGDR2
SCHEMBL11509147 0.72 GPR139 (0.36) PDE2A
SCHEMBL11509561 0.71 LMNA (0.43) BRD4
SCHEMBL11506684 0.69 PDE2A (0.38) PDE2A
SCHEMBL29092133 0.68 PDE2A (0.44) PDE2ABRD4PDE9APTGDR2
SCHEMBL29092145 0.68 PDE2A (0.44) PDE2ABRD4PDE9APTGDR2

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 6 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-4122280-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-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
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