SCHEMBL9740908

SCHEMBL9740908

Cc1ccc(C(C)C)cc1OCCN1CCN(c2cc(Cl)ccc2C)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 3/20 0.45
ADRA1B P35368 2/20 0.45
HTR1A P08908 1/20 0.45
PPARD Q03181 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
RPS6KB1 P23443 1/20 0.44
NPSR1 Q6W5P4 1/20 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
Hydrochloric Acid SCHEMBL9741004 0.99 HTT (0.65) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9740898 0.83 ALDH1A1 (0.54) HTTSMN1; SMN2ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL9740988 0.82 ATM (0.53) HTTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL9627983 0.81 SMN1; SMN2 (1.00) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9739727 0.81 HTT (0.71) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL9736862 0.80 HTT (0.70) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL10546975 0.80 SMN1; SMN2 (0.97) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9741129 0.78 ALDH1A1 (0.75) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9741672 0.74 ATM (0.52) HTTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL6583113 0.73 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1LMNATP53MAPT

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