SCHEMBL9184331

SCHEMBL9184331

O=C(O)Cc1ccccc1OCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.53
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
BCL2 P10415 2/20 0.46
BAK1 Q16611 2/20 0.46
MEN1 O00255 2/20 0.45
KCNA5 P22460 1/20 0.45
HTR1A P08908 1/20 0.45
BACE1 P56817 1/20 0.45
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9180729 0.89 HTR7 (0.55) HTR7KDM4EALDH1A1KMT2ALMNA
SCHEMBL9185929 0.88 HTR7 (0.57) HTR7KDM4EALDH1A1KMT2ALMNA
SCHEMBL9182728 0.88 HTR7 (0.53) HTR7KDM4EALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL9185067 0.87 HTR7 (0.52) HTR7KDM4EALDH1A1KMT2ALMNA
SCHEMBL9181655 0.84 KMT2A (0.58) HTR7KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL219876 0.83 HRH1 (0.59) HTR7KDM4EALDH1A1HRH3BCL2
SCHEMBL9180090 0.82 HRH3 (0.53) HTR7KDM4EALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL5686168 0.82 HRH1 (0.60) HTR7KDM4EALDH1A1HRH3BCL2
Hydrochloric Acid SCHEMBL219199 0.82 HRH1 (0.60) HTR7KDM4EALDH1A1HRH3BCL2
SCHEMBL9178327 0.81 KCNA5 (0.58) HTR7KDM4EALDH1A1KMT2ASMN1; SMN2

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-5432179-A Antiallergens ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0598123-A1 PIPERAZINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1994-05-25 EP disclosed