SCHEMBL3375310

SCHEMBL3375310

CC(C)n1cc(OC(=O)N(C)CC2CC(Oc3cccc(CN4CCCC4)c3Cl)C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ABL1 P00519 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
RIN1 Q13671 1/20 0.33
P2RX7 Q99572 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
LSS P48449 1/20 0.31
ACACB O00763 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3380311 0.89 HRH3 (0.39) HRH3KMT2AMEN1ALDH1A1P2RX7
SCHEMBL3380414 0.85 HRH3 (0.47) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL3380335 0.83 HRH3 (0.39) HRH3KMT2AMEN1ALDH1A1P2RX7
SCHEMBL3377338 0.82 HRH3 (0.40) HRH3KMT2AMEN1ALDH1A1P2RX7
SCHEMBL3376182 0.82 HRH3 (0.45) HRH3KMT2AMEN1ALDH1A1P2RX7
SCHEMBL3377269 0.82 HRH3 (0.43) HRH3KMT2AMEN1ALDH1A1P2RX7
SCHEMBL3381202 0.82 HRH3 (0.39) HRH3KMT2AMEN1ALDH1A1P2RX7
SCHEMBL3379864 0.81 HRH3 (0.39) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL3378100 0.81 HRH3 (0.40) HRH3KMT2AMEN1ALDH1A1P2RX7
SCHEMBL3378211 0.81 HRH3 (0.40) HRH3KMT2AMEN1ALDH1A1P2RX7

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 claimed