SCHEMBL3379713

SCHEMBL3379713

[CH2]C1CC(Oc2cc(Cl)c(CN3CCCC3)cc2Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CCR5 P51681 1/20 0.33
METAP2 P50579 1/20 0.33
NPC1 O15118 1/20 0.33
CHEK1 O14757 1/20 0.32
RPS6KB1 P23443 1/20 0.32
FLT4 P35916 1/20 0.32
FLT3 P36888 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
CHKA P35790 1/20 0.32
CYP2A13 Q16696 1/20 0.32

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
SCHEMBL3379715 1.00 POLB (0.36) POLBKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3379717 0.86 KDM4E (0.37) POLBKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3376555 0.84 HRH3 (0.38) POLBKDM4EALDH1A1TDP1HRH3
SCHEMBL3376557 0.84 HRH3 (0.38) POLBKDM4EALDH1A1TDP1HRH3
SCHEMBL3442077 0.82 CXCR4 (0.34) POLBKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3377215 0.81 HRH3 (0.34) POLBKDM4EALDH1A1TDP1HRH3
SCHEMBL3377216 0.79 HRH3 (0.39) KDM4EALDH1A1HRH3CHEK1RPS6KB1
SCHEMBL3442154 0.76 HRH3 (0.36) HRH3CHEK1RPS6KB1FLT4FLT3
SCHEMBL3442149 0.76 HRH3 (0.52) POLBKDM4EALDH1A1HRH3CHEK1
SCHEMBL3442151 0.76 HRH3 (0.52) POLBKDM4EALDH1A1HRH3CHEK1

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