SCHEMBL7996524

SCHEMBL7996524

O=c1cc(-c2ccncc2)[nH]c(N2CCN(c3nccc4occc34)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.49
▸ PHGDH O43175 1/20 0.40
▸ DRD2 P14416 8/20 0.38
▸ HTR2A P28223 8/20 0.38
▸ DRD3 P35462 8/20 0.38
▸ DRD1 P21728 1/20 0.37
▸ NAMPT P43490 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
SCHEMBL7978276 0.83 HRH4 (0.49) HTR2CPHGDH
SCHEMBL7978241 0.80 HTR2C (0.50) HTR2CDRD2HTR2ADRD3
SCHEMBL7989669 0.78 KCNH2 (0.35) —
SCHEMBL5386406 0.77 HSD17B10 (0.45) —
SCHEMBL5381026 0.76 AR (0.44) —
SCHEMBL7447432 0.76 HSD17B10 (0.47) —
SCHEMBL7978522 0.75 — —
SCHEMBL7978699 0.73 MAPT (0.52) —
SCHEMBL7989788 0.70 ALDH1A1 (0.58) —
SCHEMBL7990353 0.69 KDM4E (0.52) HTR2C

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
WO-2001070728-A1 2-[NITROGEN-HETEROCYCLIC]PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 — — WO claimed
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