SCHEMBL19365852

SCHEMBL19365852

Nc1ccc(-c2cccc(Cl)c2)nc1N(C(=O)Nc1ccncn1)C1CC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.41
▸ GRM5 P41594 5/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ ATR Q13535 2/20 0.35
▸ KMO O15229 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ STK4 Q13043 1/20 0.33
▸ STK3 Q13188 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL19365839 0.90 CNR2 (0.51) GRM5CNR2ATRKMOALDH1A1
SCHEMBL19365679 0.88 POLB (0.41) GRM5CNR2ATRKMOALDH1A1
SCHEMBL19703381 0.88 GRM5 (0.42) MPLGRM5CNR2ATRKMO
SCHEMBL19365769 0.88 MPL (0.43) MPLATRKMO
SCHEMBL19365796 0.86 CNR2 (0.38) CNR2ATRKMOALDH1A1FAAH
SCHEMBL19365601 0.85 CNR1 (0.36) GRM5CNR2MAP4K4FAAHSTK4
SCHEMBL19365680 0.84 TSHR (0.44) CNR2ATRALDH1A1ABL1
SCHEMBL19365671 0.82 BRAF (0.38) GRM5CNR2
SCHEMBL19365584 0.81 BRAF (0.36) GRM5CNR2ATR
SCHEMBL19365578 0.81 BRAF (0.36) GRM5CNR2ATRABL1

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