SCHEMBL20059249

SCHEMBL20059249

CC(NC1=C(C#N)CCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ AR P10275 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PLK1 P53350 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL17339207 1.00 ALDH1A1 (0.44) ALDH1A1HPGDTAAR1POLBCYP2D6
SCHEMBL17339198 0.85 LMNA (0.40) ALDH1A1HPGDPOLBLMNAMAPT
SCHEMBL13039964 0.73 CYP2D6 (0.50) ALDH1A1HPGDTAAR1POLBCYP2D6
SCHEMBL6871392 0.73 CYP2D6 (0.50) ALDH1A1HPGDTAAR1POLBCYP2D6
SCHEMBL6719047 0.72 CYP2D6 (0.46) TAAR1POLBCYP2D6LMNAKDM4E
SCHEMBL17339199 0.72 CYP2D6 (0.46) TAAR1POLBCYP2D6LMNAKDM4E
SCHEMBL6725960 0.69 CYP2D6 (0.49) ALDH1A1TAAR1POLBCYP2D6LMNA
SCHEMBL10169593 0.69 CYP2D6 (0.46) ALDH1A1TAAR1POLBCYP2D6LMNA
SCHEMBL14847482 0.69 CYP2D6 (0.46) ALDH1A1TAAR1POLBCYP2D6LMNA
SCHEMBL1044302 0.69 CYP2D6 (0.49) ALDH1A1TAAR1POLBCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154940-B1 PROCESS FOR THE PREPARATION OF RAMIPRIL SANOFI AVENTIS DEUTSCHLAND (DE) 2018-04-18 — — EP disclosed
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