SCHEMBL5197261

SCHEMBL5197261

COc1ccc(N(C2CCCCC2)C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
GAA P10253 1/20 0.45
OPRM1 P35372 1/20 0.45
EPHX2 P34913 1/20 0.44
HPGD P15428 2/20 0.43
OPRD1 P41143 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
NPY2R P49146 1/20 0.42
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL5450791 0.84 GPR119 (0.60) EPHX2ALDH1A1BACE1
SCHEMBL24538180 0.81 TRPM8 (0.47) TRPM8EPHX2MAPT
SCHEMBL5195017 0.80 CYP51A1 (0.45) CHRM2CHRM3GAAOPRM1HRH3
SCHEMBL5444808 0.75 TDP1 (0.45) TRPM8SMN1; SMN2ALDH1A1
SCHEMBL2636579 0.73 HSD11B1 (0.61) GAAHPGDMAPTSMN1; SMN2POLB
SCHEMBL16989405 0.72 GPR119 (0.73)
SCHEMBL31023784 0.72 SMN1; SMN2 (0.48) TRPM8MAPTSMN1; SMN2ALDH1A1
SCHEMBL25174711 0.71 HSD11B1 (0.70) GAAHPGDMAPTSMN1; SMN2HSD11B1
SCHEMBL2606351 0.71 HPGD (0.58) GAAEPHX2HPGDSMN1; SMN2POLB
SCHEMBL4962237 0.71 POLB (0.78) GAASMN1; SMN2POLBHSD11B1ALDH1A1

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-1786809-A2 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONISTS Sanofi-Aventis (FR) 2007-05-23 EP disclosed
WO-2006021656-A2 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONISTS SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed