SCHEMBL3377707

SCHEMBL3377707

CC1CC1.CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
HRH1 P35367 3/20 0.42
CCR3 P51677 3/20 0.42
KCNH2 Q12809 3/20 0.42
MLNR O43193 1/20 0.40
FFAR4 Q5NUL3 2/20 0.38
BCHE P06276 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ADRB2 P07550 1/20 0.37
S1PR1 P21453 1/20 0.37
PRKX P51817 1/20 0.37
ACVR1 Q04771 1/20 0.37
S1PR5 Q9H228 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL3381173 0.95 HRH3 (0.57) HRH3HRH1CCR3KCNH2MLNR
Cyclopropane SCHEMBL3413689 0.95 HRH3 (0.57) HRH3HRH1CCR3KCNH2MLNR
Cyclopentane SCHEMBL3381172 0.95 HRH3 (0.57) HRH3HRH1CCR3KCNH2MLNR
Cyclohexane SCHEMBL3380419 0.95 HRH3 (0.57) HRH3HRH1CCR3KCNH2MLNR
SCHEMBL3375063 0.88 HRH3 (0.70) HRH3HRH1CCR3KCNH2MLNR
SCHEMBL3377148 0.87 HRH3 (0.55) HRH3HRH1CCR3KCNH2MLNR
SCHEMBL3377768 0.87 HRH3 (0.56) HRH3HRH1CCR3KCNH2MLNR
SCHEMBL3376562 0.87 HRH3 (0.56) HRH3HRH1CCR3KCNH2MLNR
SCHEMBL3377393 0.86 HRH3 (0.54) HRH3HRH1CCR3KCNH2MLNR
SCHEMBL3375240 0.86 HRH3 (0.54) HRH3HRH1CCR3KCNH2S1PR1

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