SCHEMBL8569622

SCHEMBL8569622

CN1CCCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
CHKA P35790 7/20 0.58
HTR7 P34969 2/20 0.58
HRH3 Q9Y5N1 1/20 0.50
BCL2 P10415 2/20 0.49
BAK1 Q16611 2/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2194377 0.94 HTR7 (0.63) KDM4EALDH1A1POLBTDP1CHKA
Hydrochloric Acid SCHEMBL9859525 0.93 HTR7 (0.62) KDM4EALDH1A1POLBTDP1CHKA
SCHEMBL30108234 0.82 HTR7 (0.69) KDM4EALDH1A1POLBCHKAHTR7
SCHEMBL15826880 0.82 HTR7 (0.69) KDM4EALDH1A1POLBCHKAHTR7
SCHEMBL3988740 0.82 HTR7 (0.58) KDM4EALDH1A1HTR7HRH3BCL2
SCHEMBL588394 0.81 SIGMAR1 (0.67) KDM4EALDH1A1HTR7BCL2BAK1
SCHEMBL7130632 0.81 HTR7 (0.57) KDM4EALDH1A1HTR7HRH3BCL2
Hydrochloric Acid SCHEMBL5113101 0.81 HTR7 (0.57) KDM4EALDH1A1HTR7HRH3BCL2
Hydrochloric Acid SCHEMBL9182345 0.81 HTR7 (0.57) KDM4EALDH1A1HTR7HRH3BCL2
Hydrochloric Acid SCHEMBL587708 0.80 SIGMAR1 (0.65) KDM4EALDH1A1HTR7BCL2BAK1

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-5716950-A NONTOXIC ANTIALLERGEN AND ANTIASTHMATIC HAVING LOW ANTIHISTAMINIC SIDE EFFECTS NIPPON SHOJI KABUSHIKI KAISHA (JP) 1998-02-10 US disclosed