SCHEMBL19365644

SCHEMBL19365644

O=C(Nc1ccccn1)N1c2nc(Cl)ccc2N2CCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.43
▸ GRM5 P41594 5/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CHKA P35790 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL16238221 0.94 GRM5 (0.42) TRPV1GRM5MEN1KMT2ACHKA
SCHEMBL17778336 0.94 GRM5 (0.42) TRPV1GRM5MEN1KMT2ACHKA
SCHEMBL16238325 0.94 GRM5 (0.42) TRPV1GRM5MEN1KMT2ACHKA
SCHEMBL17618737 0.84 CNR2 (0.52) TRPV1GRM5KMT2ACNR2
SCHEMBL17618761 0.82 CNR2 (0.40) TRPV1GRM5MEN1KMT2ANPY2R
SCHEMBL17775617 0.81 TRPV1 (0.39) TRPV1GRM5MEN1KMT2ADRD2
SCHEMBL16237541 0.81 KMT2A (0.38) MEN1KMT2AFAAH
SCHEMBL17777056 0.81 MEN1 (0.41) TRPV1GRM5MEN1KMT2ACHKA
SCHEMBL16754464 0.81 TRPV1 (0.39) TRPV1GRM5MEN1KMT2ADRD2
SCHEMBL16754508 0.81 KMT2A (0.38) MEN1KMT2AFAAH

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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