SCHEMBL20632829

SCHEMBL20632829

O=C(Nc1ccccn1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCC[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ CCNB3 Q8WWL7 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
SCHEMBL17624598 1.00 DGAT2 (0.41) DGAT2TRPV1MAP4K4TRPV3EIF2AK4
SCHEMBL19670613 1.00 DGAT2 (0.41) DGAT2TRPV1MAP4K4TRPV3EIF2AK4
SCHEMBL19670451 0.91 MAP4K4 (0.41) DGAT2MAP4K4TRPV3EIF2AK4SCN10A
SCHEMBL17624401 0.91 MAP4K4 (0.41) DGAT2MAP4K4TRPV3EIF2AK4SCN10A
SCHEMBL19670203 0.90 POLB (0.39) DGAT2MAP4K4TRPV3EIF2AK4SCN10A
SCHEMBL17624473 0.90 POLB (0.39) DGAT2MAP4K4TRPV3EIF2AK4SCN10A
SCHEMBL19670288 0.90 MAP4K4 (0.41) DGAT2MAP4K4TRPV3EIF2AK4SCN10A
SCHEMBL17624480 0.90 MAP4K4 (0.41) DGAT2MAP4K4TRPV3EIF2AK4SCN10A
SCHEMBL19670485 0.88 MAP4K4 (0.39) MAP4K4TRPV3EIF2AK4SCN10AJAK2
SCHEMBL16754714 0.87 MAP4K4 (0.42) DGAT2TRPV1MAP4K4TRPV3EIF2AK4

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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