SCHEMBL8001572

SCHEMBL8001572

CCC(C[C@@H]1CC[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1)C(=O)NCC1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
REN P00797 2/20 0.35
RORC P51449 4/20 0.32
TSHR P16473 1/20 0.32
KCNK3 O14649 1/20 0.31
GSK3B P49841 1/20 0.31
KCNH2 Q12809 1/20 0.31
NPY5R Q15761 2/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
TACR2 P21452 2/20 0.30
HTR4 Q13639 2/20 0.30

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
SCHEMBL13601245 1.00 KMT2A (0.35) KMT2ARENRORCTSHRKCNK3
SCHEMBL8002303 0.93 KMT2A (0.36) KMT2ARENRORCTSHRGSK3B
SCHEMBL8228289 0.93 KMT2A (0.36) KMT2ARENRORCTSHRGSK3B
SCHEMBL8001171 0.93 KMT2A (0.36) KMT2ARENRORCTSHRGSK3B
SCHEMBL4508163 0.87 KMT2A (0.35) KMT2ARENTSHRGSK3BKCNH2
SCHEMBL8004344 0.87 KMT2A (0.35) KMT2ARENTSHRGSK3BKCNH2
SCHEMBL8004948 0.85 REN (0.35) KMT2ARENRORCTSHRKCNH2
SCHEMBL8225046 0.83 REN (0.34) KMT2ARENRORCTSHRBACE1
SCHEMBL8007993 0.83 REN (0.34) KMT2ARENRORCTSHRBACE1
SCHEMBL4510550 0.83 KMT2A (0.38) KMT2ARENRORCTSHRNPY5R

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
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed