SCHEMBL3049178

SCHEMBL3049178

COC(=O)C(C)(C)Sc1ccc2c(c1)C(=C1CCN(C)CC1)c1sccc1CO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.37
LMNA P02545 3/20 0.37
CHRM2 P08172 3/20 0.37
ADRA2A P08913 3/20 0.37
CHRM1 P11229 3/20 0.37
ADRA2B P18089 3/20 0.37
DRD1 P21728 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
DRD3 P35462 3/20 0.37
HTR3A P46098 3/20 0.37
KCNH2 Q12809 3/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM3 P20309 2/20 0.37
HTR6 P50406 2/20 0.37
TSHR P16473 2/20 0.37
ADRA2C P18825 2/20 0.37
CNR1 P21554 2/20 0.37
ADRA1D P25100 2/20 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
Hydrochloric Acid SCHEMBL3044335 0.99 HRH1 (0.37) HRH1LMNACHRM2ADRA2ACHRM1
SCHEMBL3046843 0.90 LMNA (0.38) HRH1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3047924 0.89 LMNA (0.38) HRH1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3047738 0.81 NPC1 (0.40) HRH1LMNACHRM2ADRA2ACHRM1
SCHEMBL3047871 0.80 MAPK1 (0.39) HRH1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3042891 0.79 DRD1 (0.38) HRH1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL14693626 0.79 LMNA (0.38) HRH1LMNACHRM2ADRA2ACHRM1
SCHEMBL3044376 0.78 MAPK1 (0.40) HRH1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3048000 0.75 CHRM5 (0.37) HRH1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3050393 0.75 CHRM5 (0.37) HRH1LMNACHRM2ADRA2ACHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP disclosed
EP-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 EP disclosed