SCHEMBL9256092

SCHEMBL9256092

Cc1ccccc1C(c1ccccc1C)C1CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ESR1 P03372 1/20 0.39
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
HRH2 P25021 1/20 0.34
GPR183 P32249 1/20 0.34
GAA P10253 1/20 0.33
NR3C2 P08235 1/20 0.33
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL9668868 0.90 ACP3 (0.38) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL9257877 0.79 CA1 (0.40) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL9257472 0.78 MCOLN2 (0.36) IDO1TDO2ALDH1A1
SCHEMBL9253636 0.78 OPRL1 (0.38) SLC6A2SLC6A4SLC6A3ADRA2AOPRM1
SCHEMBL9250047 0.74 ESR1 (0.48) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL4674804 0.72 IDO1 (0.39) OPRD1GAAIDO1
SCHEMBL9668878 0.71 OPRD1 (0.40) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL9251008 0.70 IDO1 (0.43) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL9256722 0.69 CYP2D6 (0.48) SLC6A2SLC6A4SLC6A3ADRA2AADRA2B
SCHEMBL9256103 0.69 CHRNA7 (0.34) OPRM1OPRD1OPRK1OPRL1ACHE

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
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed