SCHEMBL9737269

SCHEMBL9737269

COc1ccccc1N1CCN(CCOc2cc(C)ccc2C(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.64
HTR7 P34969 6/20 0.64
DRD2 P14416 6/20 0.64
HTR1A P08908 4/20 0.64
ADRA1A P35348 4/20 0.64
HTR6 P50406 2/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.58
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
ABCB1 P08183 1/20 0.53
DRD3 P35462 1/20 0.53

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 SCHEMBL9736732 0.99 HTR2A (0.66) HTR2AHTR7DRD2HTR1AADRA1A
Hydrochloric Acid SCHEMBL9736728 0.99 HTR2A (0.66) HTR2AHTR7DRD2HTR1AADRA1A
SCHEMBL9737194 0.91 MEN1 (0.58) HTR2AHTR7DRD2HTR1AADRA1A
Hydrochloric Acid SCHEMBL9736746 0.90 MEN1 (0.60) HTR2AHTR7DRD2HTR1AADRA1A
Hydrochloric Acid SCHEMBL9736750 0.90 MEN1 (0.60) HTR2AHTR7DRD2HTR1AADRA1A
SCHEMBL9737260 0.89 ATM (0.60) HTR2AHTR7DRD2HTR1AADRA1A
Hydrochloric Acid SCHEMBL9737254 0.88 ATM (0.62) HTR2AHTR7DRD2HTR1AADRA1A
SCHEMBL9736429 0.88 KMT2A (0.59) HTR2AHTR7DRD2HTR1AADRA1A
SCHEMBL9736125 0.87 TP53 (0.71) HTR2AHTR7DRD2HTR1AADRA1A
Hydrochloric Acid SCHEMBL9738328 0.87 ATM (0.61) HTR2AHTR7DRD2HTR1AADRA1A

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