SCHEMBL20632544

SCHEMBL20632544

C=C(Nc1cncc(C)c1)N1CCCCN(C)c2ccc(-c3cncc(C(C)(F)F)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ PRMT5 O14744 15/20 0.34
▸ WDR77 Q9BQA1 15/20 0.34
▸ PHGDH O43175 1/20 0.33
▸ CYP11B2 P19099 1/20 0.30

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
SCHEMBL20632750 0.84 GRIN1 (0.37) —
SCHEMBL20632490 0.84 DYRK1A (0.32) PRMT5WDR77PHGDHCYP11B2
SCHEMBL20633055 0.84 FYN (0.32) CYP11B2
SCHEMBL20631643 0.83 HTR2C (0.41) PRMT5WDR77
SCHEMBL20632327 0.82 FYN (0.32) CYP11B2
SCHEMBL20632292 0.82 HTR2C (0.41) PHGDHCYP11B2
SCHEMBL20631589 0.79 PHGDH (0.35) PHGDH
SCHEMBL20632922 0.78 KDM4E (0.36) —
SCHEMBL20632763 0.78 CYP11B2 (0.35) CYP11B2
SCHEMBL20632941 0.78 CYP11B2 (0.33) CYP11B2

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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