SCHEMBL20633408

SCHEMBL20633408

C=C(Nc1cncc(F)c1)N1CCCCN(C)c2ccc(-c3cccc(C#N)c3)nc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ MCHR1 Q99705 3/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ TEK Q02763 1/20 0.32

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
SCHEMBL20631699 0.98 CYP11B2 (0.35) CYP11B2HDAC2CNR1USP30BRAF
SCHEMBL20632169 0.89 CYP11B2 (0.35) CYP11B2CNR1USP30BRAFMTOR
SCHEMBL20633345 0.89 NPC1 (0.40) CYP11B2CNR1BRAFTEK
SCHEMBL20631659 0.87 GRIN1 (0.32) CNR1
SCHEMBL20631589 0.86 PHGDH (0.35) BRAF
SCHEMBL20632750 0.85 GRIN1 (0.37) CNR1BRAF
SCHEMBL20631494 0.85 MET (0.37) CYP11B2CNR1USP30MTORLRRK2
SCHEMBL20632104 0.85 HTR2A (0.32) LRRK2
SCHEMBL20632592 0.84 CYP1A2 (0.38) CYP11B2
SCHEMBL20631471 0.83 BCL6 (0.33) CYP11B2HDAC2USP30MTORLRRK2

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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