SCHEMBL3380901

SCHEMBL3380901

Cc1cccc(OC(=O)N(C)CC2CC(Oc3ccc(CN4CCC[C@@H]4C)c(Cl)c3)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
HTR3A P46098 1/20 0.34
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HRH1 P35367 3/20 0.32
CCR3 P51677 3/20 0.32
KCNH2 Q12809 3/20 0.32
MLNR O43193 1/20 0.32
EPHX2 P34913 1/20 0.31
EGFR P00533 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
SCHEMBL3380203 0.88 HRH3 (0.48) HRH3ACVR1KMT2AMCHR1CYP11B1
SCHEMBL3376109 0.81 HRH3 (0.40) HRH3GPBAR1HRH1CCR3KCNH2
SCHEMBL3379954 0.81 HRH3 (0.40) HRH3GPBAR1HRH1CCR3KCNH2
SCHEMBL3377127 0.80 HRH3 (0.40) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3377130 0.80 HRH3 (0.40) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3377403 0.78 KMT2A (0.44) HRH3KMT2AMCHR1KCNH2
SCHEMBL3381646 0.77 HRH3 (0.49) HRH3ACVR1KMT2AHRH1CCR3
SCHEMBL3375675 0.77 HRH3 (0.49) HRH3ACVR1KMT2AHRH1CCR3
SCHEMBL3379539 0.75 BMPR1B (0.40) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3377635 0.74 HRH3 (0.48) HRH3HRH1CCR3KCNH2MLNR

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