SCHEMBL3379717

SCHEMBL3379717

CC1CC(Oc2cc(Cl)c(CN3CCCC3)cc2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HRH3 Q9Y5N1 3/20 0.36
CHKA P35790 1/20 0.34
RPS6KB1 P23443 2/20 0.34
CHEK1 O14757 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
CCR5 P51681 1/20 0.33

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
SCHEMBL3379713 0.86 POLB (0.36) KDM4EALDH1A1POLBTDP1HRH3
SCHEMBL3379715 0.86 POLB (0.36) KDM4EALDH1A1POLBTDP1HRH3
SCHEMBL3376555 0.84 HRH3 (0.38) KDM4EALDH1A1POLBTDP1HRH3
SCHEMBL3376557 0.84 HRH3 (0.38) KDM4EALDH1A1POLBTDP1HRH3
SCHEMBL3442077 0.82 CXCR4 (0.34) KDM4EALDH1A1POLBTDP1HRH3
SCHEMBL3377939 0.80 HRH3 (0.48) KDM4EALDH1A1TDP1HRH3RPS6KB1
SCHEMBL3377216 0.79 HRH3 (0.39) KDM4EALDH1A1HRH3RPS6KB1CHEK1
SCHEMBL3377215 0.78 HRH3 (0.34) KDM4EALDH1A1POLBTDP1HRH3
SCHEMBL3442149 0.78 HRH3 (0.52) KDM4EALDH1A1POLBHRH3RPS6KB1
SCHEMBL3442151 0.78 HRH3 (0.52) KDM4EALDH1A1POLBHRH3RPS6KB1

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed