SCHEMBL3690763

SCHEMBL3690763

CC(C(=O)O[C@]12CCC[C@H](CC1)N2C)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.36
FPR2 P25090 2/20 0.36
FPR3 P25089 1/20 0.36
HSD11B1 P28845 4/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL5793665 0.74 CYP2D6 (0.39) CYP1A2CYP2D6POLB
SCHEMBL2488210 0.70 TYR (0.41)
SCHEMBL9640284 0.70 CHRM2 (0.46)
SCHEMBL1851579 0.68 KMT2A (0.39) POLBSLC6A4SLC6A3
SCHEMBL3690761 0.68 CYP2D6 (1.00) CYP1A2CYP2D6TSHRPOLB
SCHEMBL5790059 0.68 ALDH1A1 (0.40) TSHRPOLB
SCHEMBL467252 0.67 CYP1A2 (0.45) CYP1A2CYP2D6TSHR
SCHEMBL6017223 0.66 CYP2D6 (0.46) CYP1A2CYP2D6TSHRPOLBSLC6A4
Hydrochloric Acid SCHEMBL9373976 0.65 CNR2 (0.37)
SCHEMBL3485175 0.64 DRD3 (0.42) CYP1A2CYP2D6TSHRSLC6A4SLC6A3

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-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 WO disclosed