SCHEMBL9030979

SCHEMBL9030979

CCCCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCNCC3)C(=O)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
HRH2 P25021 7/20 0.44
HRH1 P35367 7/20 0.44
HPGD P15428 2/20 0.39
THRB P10828 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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 SCHEMBL9031173 0.99 TP53 (0.44) TP53HRH2HRH1HPGDTHRB
SCHEMBL9030280 0.87 TP53 (0.51) TP53HRH2HRH1HPGDCYP2D6
SCHEMBL9030618 0.86 TP53 (0.47) TP53LMNAMEN1KMT2AITGB3
SCHEMBL9030418 0.86 HRH2 (0.42) TP53HRH2HRH1HPGDTHRB
Hydrochloric Acid SCHEMBL9030762 0.85 TP53 (0.46) TP53LMNAMEN1KMT2AITGB3
Hydrochloric Acid SCHEMBL7680696 0.84 HRH2 (0.43) HRH2HRH1HPGDTHRBALDH1A1
SCHEMBL9030589 0.80 HRH2 (0.43) HRH2HRH1HPGDTHRBALDH1A1
Hydrochloric Acid SCHEMBL9032926 0.79 HRH2 (0.43) HRH2HRH1HPGDTHRBALDH1A1
SCHEMBL9030284 0.76 POLB (0.39) HRH2HRH1ALDH1A1CYP2D6HRH3
SCHEMBL27446878 0.76 TP53 (0.53) TP53ALDH1A1LMNASMN1; SMN2MAPT

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
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP claimed
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP disclosed