SCHEMBL11508802

SCHEMBL11508802

Cc1cc(OC(=O)c2ncco2)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ OGA O60502 1/20 0.32
▸ KCNJ6 P48051 1/20 0.32
▸ KCNJ5 P48544 1/20 0.32
▸ KCNJ3 P48549 1/20 0.32
▸ FFAR2 O15552 1/20 0.31
▸ EGLN1 Q9GZT9 2/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ S1PR2 O95136 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
SCHEMBL11508687 0.86 KDM5A (0.37) —
SCHEMBL11509656 0.85 PTGDR2 (0.33) GRM5S1PR1S1PR3FAAHGPR139
SCHEMBL11509267 0.81 KDM4E (0.40) MAPK1EGLN1SLC6A3ALDH1A1LMNA
SCHEMBL11507210 0.81 POLB (0.44) GPR139ALDH1A1SMN1; SMN2
SCHEMBL11509784 0.81 PTGS1 (0.38) GPR139PTGS1OGAKCNJ6KCNJ5
SCHEMBL11507489 0.80 KMT2A (0.45) FAAHGPR139ALDH1A1LMNAHTT
SCHEMBL11510264 0.80 GRM5 (0.37) GRM5GPR139OGA
SCHEMBL11508328 0.80 OGA (0.35) S1PR1S1PR3GPR139PTGS1CDK2
SCHEMBL11507137 0.79 PTGS1 (0.37) S1PR1S1PR3GPR139PTGS1OGA
SCHEMBL11507587 0.79 POLB (0.39) S1PR1S1PR3EGLN1SMN1; SMN2S1PR2

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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