SCHEMBL2767313

SCHEMBL2767313

COc1ccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN(C(=O)O)[C@@H](C)C4)cc3)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLNR O43193 12/20 0.61
MGLL Q99685 1/20 0.45
PRKAA2 P54646 1/20 0.42
CCR1 P32246 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HRH2 P25021 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL5107890 1.00 MLNR (0.61) MLNRMGLLPRKAA2CCR1DRD2
SCHEMBL5114477 0.91 MLNR (0.75) MLNRMGLL
SCHEMBL2766444 0.91 MLNR (0.75) MLNRMGLL
SCHEMBL2767245 0.90 MLNR (0.72) MLNRMGLLCCR1
SCHEMBL5113329 0.90 MLNR (0.72) MLNRMGLLCCR1
SCHEMBL3563619 0.90 MLNR (0.57) MLNRMGLLPRKAA2CCR1DRD2
SCHEMBL2767809 0.85 MLNR (0.56) MLNRMGLL
SCHEMBL5114320 0.85 MLNR (0.74) MLNRMGLL
SCHEMBL5104278 0.85 MLNR (0.56) MLNRMGLL
SCHEMBL2766641 0.85 MLNR (0.74) MLNRMGLL

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-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed