SCHEMBL23320499

SCHEMBL23320499

O=C(NCc1ccncc1)Nc1ccc2c(c1)cc(-c1ccccc1)n2CCC1COCCO1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.47
▸ IMPDH2 P12268 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL23320463 0.92 PRMT3 (0.45) NAMPTROCK2ROCK1RAB9A
SCHEMBL23320502 0.92 NAMPT (0.49) NAMPTIMPDH2HTTROCK2ROCK1
SCHEMBL30943269 0.81 NAMPT (0.54) NAMPTIMPDH2HTTROCK2ROCK1
SCHEMBL24042574 0.81 NAMPT (0.54) NAMPTIMPDH2HTTROCK2ROCK1
SCHEMBL23320481 0.80 NAMPT (0.57) NAMPTIMPDH2HTTROCK2ROCK1
SCHEMBL30943163 0.78 NAMPT (0.59) NAMPTIMPDH2HTTROCK2ROCK1
SCHEMBL23320580 0.78 NAMPT (0.59) NAMPTIMPDH2HTTROCK2ROCK1
SCHEMBL23320504 0.77 NAMPT (0.54) NAMPTIMPDH2HTTROCK2ROCK1
SCHEMBL23320514 0.74 NAMPT (0.55) NAMPTIMPDH2HTTROCK2ROCK1
SCHEMBL23320503 0.73 NAMPT (0.55) NAMPTIMPDH2HTTROCK2ROCK1

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-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
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