SCHEMBL5504701

SCHEMBL5504701

C[C@@H]1CCCN1CCN1CCN(C2CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
ACHE P22303 1/20 0.48
HRH3 Q9Y5N1 7/20 0.46
TSHR P16473 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MC4R P32245 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL5505504 1.00 SMN1; SMN2 (0.49) SMN1; SMN2RECQLACHEHRH3TSHR
SCHEMBL5500621 0.93 HRH3 (0.48) SMN1; SMN2RECQLACHEHRH3TSHR
SCHEMBL5500648 0.79 SMN1; SMN2 (0.49) SMN1; SMN2RECQLACHETSHRDRD2
SCHEMBL5504700 0.77 ACHE (0.46) ACHEHRH3DRD2DRD4DRD3
SCHEMBL5505503 0.77 ACHE (0.46) ACHEHRH3DRD2DRD4DRD3
SCHEMBL3709310 0.76 RECQL (0.70) SMN1; SMN2RECQLACHETSHRDRD2
SCHEMBL7474059 0.76 SMN1; SMN2 (0.56) SMN1; SMN2RECQLACHETSHRDRD2
SCHEMBL5505366 0.75 HRH3 (0.36) HRH3
SCHEMBL5505363 0.75 HRH3 (0.36) HRH3
Hydrochloric Acid SCHEMBL3706762 0.75 RECQL (0.68) SMN1; SMN2RECQLACHETSHRDRD2

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-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed