SCHEMBL11508518

SCHEMBL11508518

CC(=O)Oc1cc(C)nn1C(C)c1ccc(C)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 3/20 0.37
▸ S1PR3 Q99500 2/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ OGA O60502 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTR1E P28566 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32

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
SCHEMBL11509784 0.91 PTGS1 (0.38) GPR139KCNJ6KCNJ5KCNJ3OGA
SCHEMBL11507688 0.88 GPR139 (0.38) GPR139S1PR3S1PR4S1PR1KCNJ6
SCHEMBL11509389 0.88 GPR139 (0.38) GPR139S1PR3S1PR4S1PR1KCNJ6
SCHEMBL11509147 0.87 GPR139 (0.36) GPR139S1PR3S1PR4S1PR1KCNJ6
SCHEMBL11507511 0.86 GPR139 (0.35) GPR139S1PR3S1PR4S1PR1KCNJ6
SCHEMBL11508498 0.86 HPGD (0.40) GPR139KCNJ6KCNJ5KCNJ3MAPT
Oxirane SCHEMBL11510255 0.86 PTGS1 (0.37) OGASLC6A2SLC6A4SLC6A3
SCHEMBL11508666 0.85 RAB9A (0.38) GPR139S1PR3S1PR4S1PR1KCNJ6
SCHEMBL11509039 0.82 GPR139 (0.37) GPR139S1PR3S1PR4S1PR1ACACB
SCHEMBL11509314 0.81 KCNK3 (0.40) MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US claimed
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
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
Send feedback