SCHEMBL11520036

SCHEMBL11520036

COc1ccc2[nH]c(C)c(CCN3CCN(C)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.62
HTR6 P50406 2/20 0.62
HTR1A P08908 3/20 0.60
SLC6A2 P23975 2/20 0.60
HTR1E P28566 1/20 0.60
HTR7 P34969 1/20 0.60
HTR5A P47898 1/20 0.60
ALDH1A1 P00352 8/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 6/20 0.58
MAPT P10636 3/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 3/20 0.57
ALOX15 P16050 1/20 0.57
HTR2A P28223 2/20 0.55
NR1I2 O75469 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55

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
SCHEMBL9090770 0.88 ALDH1A1 (0.61) HTR1DHTR6HTR1ASLC6A2HTR1E
SCHEMBL25969463 0.86 HTR1D (0.64) HTR1DHTR6HTR1ASLC6A2HTR1E
Hydrochloric Acid SCHEMBL11522973 0.83 ALDH1A1 (0.56) HTR1DHTR6HTR1ASLC6A2HTR1E
SCHEMBL11519362 0.82 ALDH1A1 (0.54) HTR1DHTR6HTR1ASLC6A2HTR1E
Hydrochloric Acid SCHEMBL11524195 0.81 ALDH1A1 (0.55) HTR1DHTR6HTR1ASLC6A2HTR1E
SCHEMBL11520569 0.81 HSD17B10 (0.71) HTR1DHTR6HTR1ASLC6A2HTR1E
SCHEMBL28788491 0.79 HTT (0.56) HTR6HTR1ASLC6A2HTR7ALDH1A1
SCHEMBL8555235 0.78 HTR1D (0.76) HTR1DHTR6HTR1ASLC6A2HTR1E
SCHEMBL25969434 0.78 HTR1D (0.56) HTR1DHTR6HTR1ASLC6A2HTR1E
SCHEMBL8871396 0.78 ALDH1A1 (0.52) HTR1DHTR6HTR1ASLC6A2HTR1E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160862-A ANTIINFLAMMATORY STERLING DRUG INC. (US) 1979-07-10 US disclosed
US-4021431-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-05-03 US disclosed