SCHEMBL9409461

SCHEMBL9409461

COC(=O)CC[C@H]1CC[C@H](NC(=O)C2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
DRD3 P35462 7/20 0.48
NAMPT P43490 3/20 0.47
CYP46A1 Q9Y6A2 2/20 0.45
F10 P00742 5/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NAAA Q02083 1/20 0.42
HTR2A P28223 1/20 0.42
F2 P00734 1/20 0.42

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
Hydrochloric Acid SCHEMBL9409521 0.87 DRD2 (0.53) DRD2DRD3NAMPTCYP46A1F10
SCHEMBL9023914 0.85 SMN1; SMN2 (0.51) DRD2DRD3CYP46A1GAA
SCHEMBL9409478 0.76 ITGB3 (0.45) NAMPTCYP46A1F10LMNAGAA
SCHEMBL9409519 0.74 F10 (0.59) F10LMNAF2
SCHEMBL8838094 0.74 SMN1; SMN2 (0.51) CYP46A1GAA
SCHEMBL8633130 0.73 F10 (0.52) F10LMNAGAA
SCHEMBL9409485 0.73 ROCK2 (0.51) CYP46A1
Hydrochloric Acid SCHEMBL9023569 0.73 HTR7 (0.48) DRD2DRD3
SCHEMBL9409563 0.73 ITGB3 (0.56) NAMPTCYP46A1F10LMNAGAA
Hydrochloric Acid SCHEMBL9409431 0.73 ITGB3 (0.46) DRD2DRD3NAMPTCYP46A1F10

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-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed