SCHEMBL7366656

SCHEMBL7366656

COC(=O)Cc1ccc(N2CCN(CCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.53
NAMPT P43490 1/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
GPR119 Q8TDV5 5/20 0.47
WNT3A P56704 1/20 0.47
NPC1 O15118 1/20 0.47
NR2F2 P24468 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6978816 0.94 SMN1; SMN2 (0.61) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL27197478 0.86 GPR119 (0.51) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL25217296 0.84 VEGFA (0.52) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL7360627 0.84 MAPT (0.54) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL29680840 0.84 MEN1 (0.54) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL10316359 0.84 GPR119 (0.69) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL14711349 0.82 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL31544598 0.82 MAPT (0.61) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL15727931 0.81 GPR119 (0.53) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL13344709 0.80 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed