SCHEMBL5048436

SCHEMBL5048436

CC(C)(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)[C@@H](N)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
IGF1R P08069 1/20 0.43
DRD2 P14416 4/20 0.43
DRD4 P21917 3/20 0.43
DRD1 P21728 2/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
RAB9A P51151 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
THRB P10828 1/20 0.41
HTR1A P08908 1/20 0.41
ADRB1 P08588 1/20 0.40

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
SCHEMBL5048319 0.77 IGF1R (0.49) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL5049327 0.77 MAPT (0.45) MAPTSMN1; SMN2LMNAL3MBTL1MAPK1
SCHEMBL10163611 0.71 BCL2A1 (0.63) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL2856917 0.70
SCHEMBL1254422 0.70 MAPT (0.57) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL4128651 0.69 ANPEP (0.34) SMN1; SMN2ALDH1A1
SCHEMBL5185937 0.68 MAPT (0.60) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL2922701 0.68 SIGMAR1 (0.62) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL4491038 0.68 MAPT (0.58) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL4491041 0.68 MAPT (0.58) MAPTSMN1; SMN2LMNAALOX12L3MBTL1

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-1973880-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2008-10-01 EP disclosed
WO-2007087585-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-02 WO disclosed