SCHEMBL4561882

SCHEMBL4561882

C[C@@H]1CN(c2ncccc2OCc2ccnc(N)n2)CCN1C(=O)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.47
▸ LIMK2 P53671 7/20 0.46
▸ ROCK2 O75116 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ RBP4 P02753 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ KIT P10721 2/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40

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
SCHEMBL2734070 0.83 TRPV1 (0.51) TRPV1
SCHEMBL2720307 0.81 TRPV1 (0.42) TRPV1LIMK2KITPI4KB
SCHEMBL2381414 0.80 TRPV1 (0.54) TRPV1KIT
SCHEMBL2717524 0.80 TRPV1 (0.42) TRPV1LIMK2KITPI4KB
SCHEMBL4561718 0.78 TRPV1 (0.48) TRPV1PDGFRBPDGFRA
SCHEMBL2730160 0.78 TRPV1 (0.45) TRPV1RBP4PDGFRBPDGFRA
SCHEMBL2717889 0.78 TRPV1 (0.45) TRPV1
SCHEMBL2717511 0.77 PI4KB (0.53) TRPV1LIMK2PI4KB
SCHEMBL2384052 0.77 LIMK2 (0.54) LIMK2KITPDGFRB
SCHEMBL2385769 0.76 PDGFRB (0.44) TRPV1LIMK2KITPI4KBPDGFRB

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
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
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