SCHEMBL11460905

SCHEMBL11460905

CCOC(=O)CCC(C#N)(c1cccc(C(F)(F)F)c1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TRPV4 Q9HBA0 2/20 0.41
▸ ELANE P08246 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL11624146 0.91 TSHR (0.40) GAAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL11628340 0.90 MAPT (0.39) GAAKDM4EPOLBNPSR1SMN1; SMN2
SCHEMBL11625289 0.90 KDM4E (0.43) GAAKDM4EPOLBNPSR1SMN1; SMN2
SCHEMBL11640160 0.86 ALDH1A1 (0.42) GAAKDM4ESMN1; SMN2TRPV4ALDH1A1
SCHEMBL11626066 0.85 POLB (0.41) GAAKDM4EPOLBNPSR1SMN1; SMN2
SCHEMBL11003097 0.83 KMT2A (0.39) GAAKDM4EPOLBNPSR1SMN1; SMN2
SCHEMBL11381103 0.82 KCNA5 (0.40) GAAKDM4EPOLBALDH1A1LMNA
SCHEMBL11381545 0.80 POLB (0.39) GAAKDM4EPOLBALDH1A1CYP2C9
SCHEMBL11007676 0.79 ALDH1A1 (0.40) KDM4EPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL11627896 0.78 TSHR (0.40) GAAKDM4EPOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 — — US disclosed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 — — EP disclosed
US-4112095-A 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents AMERICAN CYANAMID COMPANY (US) 1978-09-05 — — US disclosed
US-4092311-A Hypotensive alkyl-3-[6-(aryl)-3-pyridazinyl]-carbazates AMERICAN CYANAMID COMPANY (US) 1978-05-30 — — US disclosed
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