SCHEMBL28048490

SCHEMBL28048490

COc1ccc(CN2CCC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.75
CHKA P35790 1/20 0.73
SIGMAR1 Q99720 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.71
HRH3 Q9Y5N1 4/20 0.62
HRH2 P25021 1/20 0.60
TSHR P16473 1/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL1045927 1.00 PTGIR (0.75) PTGIRCHKASIGMAR1SMN1; SMN2HRH3
SCHEMBL1043090 0.98 SIGMAR1 (0.77) PTGIRCHKASIGMAR1SMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL23850638 0.98 PTGIR (0.73) PTGIRCHKASIGMAR1SMN1; SMN2HRH3
SCHEMBL1045386 0.98 SIGMAR1 (0.77) PTGIRCHKASIGMAR1SMN1; SMN2HRH3
SCHEMBL3171551 0.96 PTGIR (0.81) PTGIRCHKASIGMAR1SMN1; SMN2HRH3
SCHEMBL1890751 0.94 PTGIR (0.78) PTGIRCHKASIGMAR1SMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL518538 0.92 PTGIR (0.76) PTGIRCHKASIGMAR1SMN1; SMN2HRH3
SCHEMBL19285228 0.92 SIGMAR1 (0.85) PTGIRCHKASIGMAR1SMN1; SMN2POLB
SCHEMBL20804352 0.92 SIGMAR1 (0.85) PTGIRCHKASIGMAR1SMN1; SMN2POLB
SCHEMBL1043952 0.92 SIGMAR1 (0.85) PTGIRCHKASIGMAR1SMN1; SMN2POLB

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
CN-105367576-A Pyrrolopyrimidine compounds as TLR7 agonists CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2016-03-02 CN disclosed