SCHEMBL8635517

SCHEMBL8635517

CC(=O)OC(=O)C(OC1CCCNC1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
CYP19A1 P11511 1/20 0.38
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
RPLP1 P05386 1/20 0.35
RPLP0 P05388 1/20 0.35
RPS17 P08708 1/20 0.35
RPSA P08865 1/20 0.35
RPS2 P15880 1/20 0.35
RPL35A P18077 1/20 0.35
RPL7 P18124 1/20 0.35
RPL17 P18621 1/20 0.35
RPS4Y1 P22090 1/20 0.35
RPS3 P23396 1/20 0.35
RPS12 P25398 1/20 0.35
RPL13 P26373 1/20 0.35
RPL10 P27635 1/20 0.35
RPL12 P30050 1/20 0.35
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 1/20 0.35

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
SCHEMBL8633635 0.75 TSHR (0.44) HRH3ITGB3ITGA2BAOC3CYP2C9
Hydrochloric Acid SCHEMBL8838087 0.73 ADRB2 (0.49) HRH3ADRB2NCF1PLD1ITGB3
SCHEMBL8635510 0.71 RPLP1 (0.39) HRH3ADRB2NCF1PLD1RPLP1
SCHEMBL8631574 0.71 HRH3 (0.54) HRH3CYP19A1ADRB2NCF1PLD1
Hydrochloric Acid SCHEMBL8838031 0.68 HRH3 (0.41) HRH3ADRB2NCF1PLD1ITGB3
SCHEMBL8635654 0.68 MAPT (0.44) HRH3AOC3TSHR
SCHEMBL8633965 0.68 NPY2R (0.55) HRH3ITGB3ITGA2BTSHR
Hydrochloric Acid SCHEMBL8838195 0.67 NPY2R (0.54) HRH3ITGB3ITGA2BAOC3
SCHEMBL7401896 0.67 HRH3 (0.62) HRH3ADRB2NCF1PLD1ITGB3
SCHEMBL8701129 0.67 HRH3 (0.48) HRH3CYP19A1ADRB2NCF1PLD1

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed