SCHEMBL3921086

SCHEMBL3921086

CCC(=O)NCc1cccc(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.57
TP53 P04637 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43

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
SCHEMBL13170238 0.86 ALDH1A1 (0.64) P2RX7TP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL30259908 0.86 ALDH1A1 (0.64) P2RX7TP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL935059 0.84 HPGD (0.54) P2RX7TP53ALDH1A1HPGDKMT2A
SCHEMBL5670334 0.82 P2RX7 (0.52) P2RX7TP53ALDH1A1HPGDKMT2A
SCHEMBL2267520 0.81 MCL1 (0.54) P2RX7TP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL12366173 0.81 P2RX7 (0.52) P2RX7TP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL27847330 0.81 P2RX7 (0.51) P2RX7TP53ALDH1A1HPGDKMT2A
SCHEMBL10150926 0.78 HTT (0.50) ALDH1A1HPGDKMT2AMEN1NPC1
SCHEMBL16108558 0.77 ALDH1A1 (0.49) P2RX7TP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL8765952 0.77 GAA (0.51) P2RX7TP53ALDH1A1HPGDKMT2A

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
EP-2029542-A2 PRIMARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-03-04 EP claimed
WO-2007099509-A2 PRIMARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-07 WO claimed
EP-2029542-A2 PRIMARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-03-04 EP disclosed
WO-2007099509-A2 PRIMARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-07 WO disclosed