SCHEMBL4689625

SCHEMBL4689625

Cc1ccc(NC[C@@H](O)[C@@H](N)Cc2ccccc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.47
THRB P10828 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.44
CSNK1E P49674 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TACR1 P25103 1/20 0.40
MAPK1 P28482 1/20 0.39
MMP2 P08253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4692657 0.86 CSNK1E (0.48) F2HTTMAPTCSNK1ELMNA
SCHEMBL4694821 0.85 F2 (0.51) F2MAPTCSNK1EGAAALDH1A1
SCHEMBL5428001 0.83 F2 (0.40) F2THRBHTTCSNK1EGAA
SCHEMBL4692605 0.81 HTT (0.50) F2HTTMAPTCSNK1EALDH1A1
SCHEMBL4695052 0.80 ALDH1A1 (0.45) F2HTTMAPTCSNK1ESMN1; SMN2
SCHEMBL4689485 0.75 CSNK1E (0.50) F2HTTMAPTCSNK1ESMN1; SMN2
SCHEMBL4692139 0.75 CSNK1E (0.44) F2MAPTCSNK1ESMN1; SMN2LMNA
SCHEMBL5431634 0.75 F2 (0.41) F2CSNK1ELMNA
SCHEMBL4038318 0.75 DNM1 (0.51) F2CSNK1ETACR1
SCHEMBL4695898 0.75 F2 (0.53) F2MAPTCSNK1EGAAALDH1A1

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-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed