SCHEMBL19364877

SCHEMBL19364877

C[C@@H]1CCN(C)c2ccc(-c3cccc(N4CCCC4)c3)nc2N1C(=O)Nc1cncc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.38
▸ CNR1 P21554 6/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ CLK1 P49759 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ CAMK2D Q13557 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
SCHEMBL19365433 0.92 PDE10A (0.34) TRPV3CNR1PLK4PRKCIALDH1A1
SCHEMBL19365678 0.92 PDE10A (0.34) TRPV3CNR1PLK4PRKCIALDH1A1
SCHEMBL19365545 0.90 TEK (0.32) TRPV3PLK4PRKCITEKALDH1A1
SCHEMBL19365440 0.89 PIM2 (0.35) ABL1
SCHEMBL19365744 0.89 ABL1 (0.43) ABL1BCRTEKJAK2ALDH1A1
SCHEMBL19365595 0.87 MAPT (0.38) JAK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL19365418 0.87 CLK2 (0.39) TRPV3CNR1ABL1BCRKIT
SCHEMBL19670365 0.86 VCP (0.37) TRPV3CNR1ABL1KITJAK2
SCHEMBL19670423 0.85 TRPV3 (0.38) TRPV3ABL1BCRPRKCITEK
SCHEMBL17618495 0.84 TRPV3 (0.37) TRPV3CNR1ABL1BCRPRKCI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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