SCHEMBL19670244

SCHEMBL19670244

CCN1CC[C@@H](C)N(C(=O)Nc2cccnc2)c2nc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 11/20 0.45
▸ HTR2C P28335 11/20 0.45
▸ CACNA1G O43497 8/20 0.43
▸ CACNA1H O95180 8/20 0.43
▸ CACNA1I Q9P0X4 8/20 0.43

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
SCHEMBL19865071 0.88 HTR2C (0.47) HTR2AHTR2C
SCHEMBL19670291 0.85 CACNA1G (0.36) HTR2AHTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL19865050 0.82 HTR2C (0.40) HTR2AHTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL19670597 0.82 NPC1 (0.40) CACNA1GCACNA1HCACNA1I
SCHEMBL19365527 0.82 HTR2C (0.50) HTR2AHTR2C
SCHEMBL19670527 0.81 NAMPT (0.46) CACNA1GCACNA1HCACNA1I
SCHEMBL19670393 0.80 ABL1 (0.42) HTR2AHTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL19670179 0.80 HTR2C (0.46) HTR2AHTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL19670388 0.80 CACNA1G (0.46) HTR2AHTR2CCACNA1GCACNA1HCACNA1I
SCHEMBL19670589 0.79 HTR2C (0.42) HTR2AHTR2CCACNA1GCACNA1HCACNA1I

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