SCHEMBL11508315

SCHEMBL11508315

Cc1ccc(C(C)n2nc(C)c(C)c2OC(=O)n2cccc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CHRND Q07001 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL11509039 0.86 GPR139 (0.37) GPR139LMNAMAPK1CHRNA1CHRNG
SCHEMBL11507538 0.83 MAPT (0.39) GPR139ALDH1A1LMNAHPGDMAPK1
SCHEMBL11507615 0.83 PDE2A (0.36) GPR139CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL11459811 0.82 GCGR (0.39) GPR139PTGDR2MAPTGCGRSTAT1
SCHEMBL11459956 0.80 MAP3K14 (0.41) GPR139PTGDR2GCGR
SCHEMBL11508181 0.78 PTGDR2 (0.38) GPR139ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL11507679 0.76 PTGDR2 (0.41) GPR139ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL11616977 0.76 PTGDR2 (0.39) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL11510178 0.76 GPR139 (0.37) GPR139ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL11507240 0.75 PDE2A (0.37) ALDH1A1LMNASLC6A3PTGDR2S1PR3

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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