SCHEMBL5757946

SCHEMBL5757946

O=C(NCC(NC(=O)[C@@H]1CSCN1)C(SCC1CCCCC1)c1ccc(Oc2ccccc2)nc1)c1ccccc1O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.32
KMT2A Q03164 3/20 0.31
CACNA1B Q00975 1/20 0.31
ACACB O00763 2/20 0.31
MEN1 O00255 1/20 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
SCHEMBL5759013 0.84 GRN (0.36) P2RX7ACACB
SCHEMBL5754780 0.83 CACNA1B (0.43) P2RX7KMT2ACACNA1BACACBMEN1
SCHEMBL5755208 0.81 CACNA1B (0.36) CACNA1B
SCHEMBL5756531 0.77 HTR2C (0.40)
SCHEMBL5753832 0.76 CACNA1B (0.36) CACNA1B
SCHEMBL5754339 0.76 ALDH1A1 (0.35) P2RX7KMT2ACACNA1B
SCHEMBL5757143 0.76 ALDH1A1 (0.35) P2RX7KMT2ACACNA1B
SCHEMBL5758658 0.75 CCR1 (0.34)
SCHEMBL5754552 0.75 NPC1 (0.32)
SCHEMBL5752525 0.73 BACE1 (0.32)

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed