SCHEMBL9739727

SCHEMBL9739727

Cc1ccc(C(C)C)cc1OCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ALDH1A1 P00352 3/20 0.61
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTR1A P08908 4/20 0.60
DRD3 P35462 4/20 0.52
DRD2 P14416 3/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
TSHR P16473 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
HTR2A P28223 2/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47

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 SCHEMBL9736862 0.99 HTT (0.70) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9627983 0.83 SMN1; SMN2 (1.00) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL10546975 0.82 SMN1; SMN2 (0.97) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9741129 0.81 ALDH1A1 (0.75) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9740908 0.81 HTT (0.67) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL9741004 0.80 HTT (0.65) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9739717 0.79 ATM (0.62) HTTSMN1; SMN2ALDH1A1LMNAHTR1A
Hydrochloric Acid SCHEMBL9736847 0.78 ATM (0.64) HTTSMN1; SMN2ALDH1A1LMNAHTR1A
Hydrochloric Acid SCHEMBL9736860 0.78 ATM (0.64) HTTSMN1; SMN2ALDH1A1LMNAHTR1A
SCHEMBL8692475 0.74 HTR1A (0.75) HTR1ADRD3DRD2DRD1DRD5

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-5110816-A Urogenital disorders INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1992-05-05 US disclosed