SCHEMBL23320463

SCHEMBL23320463

O=C(NCCc1ccncc1)Nc1ccc2c(c1)cc(-c1ccccc1)n2CCC1COCCO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRMT3 O60678 1/20 0.45
▸ ROCK2 O75116 4/20 0.44
▸ ROCK1 Q13464 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.39
▸ NAMPT P43490 6/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTPN7 P35236 1/20 0.38
▸ MCHR2 Q969V1 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ GRM4 Q14833 2/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL23320499 0.92 NAMPT (0.47) ROCK2ROCK1NAMPTRAB9A
SCHEMBL23320502 0.84 NAMPT (0.49) ROCK2ROCK1NAMPTRAB9A
SCHEMBL23320506 0.81 ROCK2 (0.57) PRMT3ROCK2ROCK1KDM4ENAMPT
SCHEMBL23320539 0.75 PRMT3 (0.52) PRMT3ROCK2ROCK1KDM4ENAMPT
SCHEMBL30943269 0.73 NAMPT (0.54) ROCK2ROCK1NAMPT
SCHEMBL24042574 0.73 NAMPT (0.54) ROCK2ROCK1NAMPT
SCHEMBL23320481 0.72 NAMPT (0.57) ROCK2ROCK1NAMPT
SCHEMBL23320580 0.70 NAMPT (0.59) ROCK2ROCK1NAMPT
SCHEMBL30943163 0.70 NAMPT (0.59) ROCK2ROCK1NAMPT
SCHEMBL23320504 0.69 NAMPT (0.54) ROCK2ROCK1NAMPT

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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