SCHEMBL3378211

SCHEMBL3378211

Cc1cccc(OC(=O)N(C)CC2CC(Oc3cccc(CN4CCCC4)c3Cl)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34
PDCD1LG2 Q9BQ51 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HTR2C P28335 1/20 0.32
MCHR1 Q99705 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 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
SCHEMBL3377338 0.90 HRH3 (0.40) HRH3KMT2AMEN1KDM4EALDH1A1
SCHEMBL3378522 0.90 HRH3 (0.40) HRH3KMT2AMEN1KDM4EALDH1A1
SCHEMBL3378100 0.88 HRH3 (0.40) HRH3KMT2AMEN1KDM4EALDH1A1
SCHEMBL3376099 0.87 HRH3 (0.40) HRH3KMT2AMEN1KDM4EALDH1A1
SCHEMBL3381202 0.86 HRH3 (0.39) HRH3KMT2AMEN1KDM4EALDH1A1
SCHEMBL3380335 0.85 HRH3 (0.39) HRH3KMT2AMEN1KDM4EALDH1A1
SCHEMBL3380203 0.85 HRH3 (0.48) HRH3KMT2AMEN1POLBMCHR1
SCHEMBL3379864 0.85 HRH3 (0.39) HRH3KMT2AMEN1KDM4EALDH1A1
SCHEMBL3377452 0.85 HRH3 (0.40) HRH3KMT2AMEN1KDM4EALDH1A1
SCHEMBL3377403 0.84 KMT2A (0.44) HRH3KMT2AMEN1MCHR1

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