SCHEMBL8805136

SCHEMBL8805136

c1ccc2c(CCCCNc3ccncc3)c[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR1A P08908 3/20 0.55
DRD2 P14416 2/20 0.55
HTR7 P34969 1/20 0.55
HTR6 P50406 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
HRH3 Q9Y5N1 4/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL12845524 0.95 HDAC3 (0.53) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL12782483 0.91 HDAC3 (0.56) HTR2AHTR1ADRD2HTR7HTR6
Serdemetan SCHEMBL29375950 0.85 HRH3 (0.58) HTR2AHTR1ADRD2HTR7HTR6
Serdemetan SCHEMBL3012498 0.85 HRH3 (0.58) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL12782524 0.84 HDAC3 (0.47) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL12782284 0.82 HRH3 (0.61) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL13130727 0.81 KMT2A (0.46) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL12845346 0.81 HRH3 (0.59) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL12845544 0.80 HRH3 (0.61) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL7004146 0.79 HTR2A (0.71) HTR2AHTR1AHTR7HTR6KDM4E

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-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed