SCHEMBL5224311

SCHEMBL5224311

CCN1CCN(C(c2ccc(-c3ccc(OC)cc3)cc2)c2cn[nH]c2-c2ccco2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 2/20 0.37
SMAD3 P84022 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5232268 0.91 BCL2L11 (0.39) LMNAALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL2761238 0.89 LMNA (0.51) LMNAALDH1A1MAPTPOLBKMT2A
SCHEMBL5230462 0.89 HTR1A (0.47) ALDH1A1SMN1; SMN2TSHRHTTHSD17B10
Hydrochloric Acid SCHEMBL1997591 0.88 LMNA (0.50) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL5226495 0.86 NPSR1 (0.44) LMNAALDH1A1TSHRHTTMAPT
SCHEMBL5228511 0.83 MAPT (0.38) ALDH1A1SMN1; SMN2TSHRHTTHSD17B10
SCHEMBL1999587 0.80 LMNA (0.44) LMNAALDH1A1HTTMAPTPOLB
SCHEMBL2006339 0.79 LMNA (0.44) LMNAALDH1A1MAPTPOLBHRH3
SCHEMBL2761010 0.79 MAPT (0.41) LMNAHTTMAPTPOLBHTR1A
SCHEMBL2761138 0.79 LMNA (0.40) LMNAHTTMAPTPOLBHTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed