SCHEMBL9286013

SCHEMBL9286013

NC(Cc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)C(O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.50
REN P00797 15/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9285348 1.00 P2RX1 (0.50) P2RX1RENHPGDRECQLMEN1
SCHEMBL9279537 1.00 P2RX1 (0.50) P2RX1RENHPGDRECQLMEN1
SCHEMBL9279542 1.00 P2RX1 (0.50) P2RX1RENHPGDRECQLMEN1
SCHEMBL9279210 0.82 REN (0.47) P2RX1REN
SCHEMBL9279217 0.82 REN (0.47) P2RX1REN
SCHEMBL9285769 0.82 REN (0.47) P2RX1REN
SCHEMBL9279223 0.82 REN (0.47) P2RX1REN
SCHEMBL7433840 0.82 P2RX1 (0.46) P2RX1REN
SCHEMBL8909057 0.82 P2RX1 (0.62) P2RX1REN
SCHEMBL7277076 0.82 P2RX1 (0.46) P2RX1REN

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
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed