SCHEMBL18568331

SCHEMBL18568331

Cc1ccc2c(c1)c(CC(=O)N(C)C)cn2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 10/20 0.60
CACNB4 O00305 2/20 0.58
CACNA1A O00555 2/20 0.58
CACNA1G O43497 2/20 0.58
CACNG3 O60359 2/20 0.58
CACNA1F O60840 2/20 0.58
CACNA1H O95180 2/20 0.58
CACNB3 P54284 2/20 0.58
CACNA2D1 P54289 2/20 0.58
CACNG7 P62955 2/20 0.58
CACNA1B Q00975 2/20 0.58
CACNA1D Q01668 2/20 0.58
CACNB1 Q02641 2/20 0.58
CACNG1 Q06432 2/20 0.58
CACNB2 Q08289 2/20 0.58
CACNA1S Q13698 2/20 0.58
CACNA1C Q13936 2/20 0.58
CACNA1E Q15878 2/20 0.58
CACNA2D4 Q7Z3S7 2/20 0.58
CACNA2D3 Q8IZS8 2/20 0.58

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
SCHEMBL1751127 0.87 PLA2G2A (0.55) ICMTPLA2G2AFNTAFNTBALDH1A1
SCHEMBL1750410 0.87 PLA2G2A (0.55) ICMTPLA2G2AFNTAFNTBALDH1A1
SCHEMBL7053553 0.78 CACNB4 (0.62) ICMTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2004159 0.74 PLA2G2A (0.81) ICMTPLA2G2AALDH1A1LMNAPLA2G4A
SCHEMBL20769700 0.74 LMNA (0.75) ICMTPLA2G2AALDH1A1LMNAPLA2G4A
SCHEMBL13930959 0.73 LMNA (0.74) ICMTPLA2G2AALDH1A1LMNA
SCHEMBL7962690 0.73 PLA2G2A (0.74) ICMTPLA2G2AALDH1A1LMNA
SCHEMBL7679351 0.73 ALDH1A1 (0.62) ICMTPLA2G2AALDH1A1LMNAPLA2G4A
SCHEMBL7683025 0.73 ICMT (0.68) ICMTPLA2G2AALDH1A1LMNAPLA2G4A
SCHEMBL1073379 0.72 TP53 (0.76) ALDH1A1LMNA

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-2666772-B1 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2017-03-01 EP disclosed