SCHEMBL18568685

SCHEMBL18568685

O=C(NCCc1ccccc1)C1CCC(Cn2c(NCc3ccccc3)cc3c(c2=O)C=CNC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TP53 P04637 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL18568684 0.76 POLB (0.59) MAPTRXFP1POLBHPGDMEN1
SCHEMBL9995861 0.76 POLB (0.59) MAPTRXFP1POLBHPGDMEN1
SCHEMBL23417495 0.68 CYP2C19 (0.68) MAPTPOLBHPGDMEN1KMT2A
SCHEMBL11960890 0.66 MAPK10 (0.63) MAPTRXFP1POLBHPGDMEN1
SCHEMBL15679868 0.65 POLB (0.64) MAPTPOLBHPGDMEN1KMT2A
SCHEMBL4034002 0.65 CYP2C19 (0.60) POLBMEN1KMT2AKDM4ELMNA
SCHEMBL2362584 0.64 POLB (0.61) MAPTRXFP1POLBHPGDMEN1
SCHEMBL2363650 0.64 VCP (0.46) MAPTRXFP1POLBHPGDMEN1
SCHEMBL7272444 0.64 TAAR1 (0.64) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL2354757 0.64 KMT2A (0.58) MAPTRXFP1POLBHPGDMEN1

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-3135672-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2017-03-01 — — EP disclosed
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