SCHEMBL3376099

SCHEMBL3376099

Cc1cc(OC(=O)N(C)CC2CC(Oc3cccc(CN4CCCC4)c3Cl)C2)no1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
NMT1 P30419 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
SCHEMBL3377452 0.91 HRH3 (0.40) HRH3MEN1KMT2APOLBP2RX7
SCHEMBL3380335 0.91 HRH3 (0.39) HRH3MEN1KMT2APOLBP2RX7
SCHEMBL3378211 0.87 HRH3 (0.40) HRH3MEN1KMT2APOLBP2RX7
SCHEMBL3377338 0.87 HRH3 (0.40) HRH3MEN1KMT2APOLBP2RX7
SCHEMBL3378522 0.86 HRH3 (0.40) HRH3MEN1KMT2APOLBP2RX7
SCHEMBL3381202 0.86 HRH3 (0.39) HRH3MEN1KMT2APOLBP2RX7
SCHEMBL3380675 0.85 HRH3 (0.48) HRH3MEN1KMT2APOLBKDM4E
SCHEMBL3378689 0.85 HRH3 (0.39) HRH3MEN1KMT2APOLBP2RX7
SCHEMBL3378100 0.85 HRH3 (0.40) HRH3MEN1KMT2APOLBP2RX7
SCHEMBL3377874 0.85 HRH3 (0.39) HRH3MEN1KMT2APOLBP2RX7

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