SCHEMBL7590732

SCHEMBL7590732

CC(=O)N1CCN(Cc2ccccc2)C(c2ccccc2)C1.COc1c(-c2ccccc2)cc2cc1-2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
P2RX7 Q99572 1/20 0.43
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 3/20 0.42
PHGDH O43175 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL7587566 0.90 P2RX7 (0.52) POLBP2RX7LMNAMEN1KMT2A
SCHEMBL7582641 0.77 POLB (0.41) POLBMEN1KMT2AHTT
SCHEMBL17040326 0.72 P2RX7 (0.52) P2RX7NR1H2NR1H3PHGDHSIGMAR1
SCHEMBL7585368 0.71 POLB (0.39) POLB
SCHEMBL7594794 0.71 ALDH1A1 (0.40)
SCHEMBL17037456 0.71 P2RX7 (0.50) P2RX7NR1H2NR1H3PHGDHSIGMAR1
SCHEMBL15055274 0.70 CHRM1 (0.54) LMNAKMT2A
SCHEMBL15055273 0.70 CHRM1 (0.54) LMNAKMT2A
SCHEMBL27430288 0.70 P2RX7 (0.39) P2RX7NR1H2NR1H3
SCHEMBL3029177 0.68 CA1 (0.61)

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-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed