SCHEMBL4416615

SCHEMBL4416615

CCCC1CC(=O)N(Cn2c(-c3nccn3C)nc3ccc(OC)cc32)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
MTNR1A P48039 8/20 0.37
MTNR1B P49286 8/20 0.37
PDE5A O76074 4/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
DYRK1A Q13627 1/20 0.33

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
SCHEMBL663172 0.86 BRD4 (0.39) BRD4MTNR1AMTNR1BPDE5ATP53
SCHEMBL30361112 0.86 BRD4 (0.39) BRD4MTNR1AMTNR1BPDE5ATP53
SCHEMBL4408527 0.83 MTNR1A (0.37) BRD4MTNR1AMTNR1BPDE5ATP53
SCHEMBL4406896 0.82 MTNR1A (0.33) BRD4MTNR1AMTNR1BPDE5ATP53
SCHEMBL1666066 0.82 MTNR1A (0.37) BRD4MTNR1AMTNR1B
SCHEMBL661152 0.81 BRD4 (0.37) BRD4MTNR1AMTNR1BPDE5ACYP11B1
SCHEMBL4406363 0.81 BRD4 (0.37) BRD4MTNR1AMTNR1BPDE5ACYP11B1
SCHEMBL661457 0.81 PPARG (0.39) MTNR1AMTNR1B
SCHEMBL30361134 0.81 PPARG (0.39) MTNR1AMTNR1B
SCHEMBL662088 0.80 S1PR1 (0.40) MTNR1AMTNR1B

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-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed