SCHEMBL19365247

SCHEMBL19365247

O=C(Nc1cccc(C2CCNC2)c1)N1CCCN(CO)c2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.39
▸ EPHB4 P54760 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL19365248 0.90 MCHR1 (0.41) MCHR1EPHB4MEN1POLBKMT2A
SCHEMBL16776315 0.85 MCHR1 (0.41) MCHR1EPHB4MEN1POLBKMT2A
SCHEMBL16238014 0.81 MEN1 (0.38) MCHR1MEN1POLBKMT2AGRIN2B
SCHEMBL19365694 0.79 CHRM3 (0.45) MEN1KMT2A
SCHEMBL19365423 0.78 MCHR1 (0.44) MCHR1GAAMEN1KMT2AGRIN2B
SCHEMBL19365414 0.77 MCHR1 (0.45) MCHR1GAATRPV1GRIN2B
SCHEMBL20632390 0.76 MCHR1 (0.35) MCHR1MEN1POLBKMT2AHTR2C
SCHEMBL19365749 0.76 CA2 (0.42) GAAMEN1POLBKMT2ATRPV1
SCHEMBL17623988 0.75 NPC1 (0.37) GAAMEN1KMT2AGRIN2BHTR2C
SCHEMBL19365246 0.75 MAPT (0.44) MCHR1GAAMEN1POLBKMT2A

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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