SCHEMBL7207718

SCHEMBL7207718

CCCCCN(C)CCCCCCO[C@H]1CC[C@H](N(C)C(=S)Nc2ccc(Br)cc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
LSS P48449 5/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4799632 0.89 LSS (0.43) LSSKMT2A
SCHEMBL4799635 0.89 LSS (0.43) LSSKMT2A
SCHEMBL7211880 0.80 SMN1; SMN2 (0.44) LSSALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL7211877 0.80 SMN1; SMN2 (0.44) LSSALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL7211442 0.79 LMNA (0.39) LSSALDH1A1POLBKMT2AMAPT
SCHEMBL7211436 0.79 LMNA (0.39) LSSALDH1A1POLBKMT2AMAPT
SCHEMBL7209307 0.78 SMN1; SMN2 (0.47) ALDH1A1KMT2AMAPTHPGDHTT
SCHEMBL7208602 0.77 LMNA (0.41) LSSKMT2AMAPTHTTSMN1; SMN2
SCHEMBL7208600 0.77 LMNA (0.41) LSSKMT2AMAPTHTTSMN1; SMN2
SCHEMBL7209436 0.77 FPR3 (0.42) LSSKMT2A

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed