SCHEMBL4695052

SCHEMBL4695052

Cc1cccc(NC[C@@H](O)[C@@H](N)Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
F2 P00734 2/20 0.45
CSNK1E P49674 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
TACR1 P25103 1/20 0.44
HPGD P15428 2/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4689485 0.85 CSNK1E (0.50) MAPTHTTF2CSNK1ESMN1; SMN2
SCHEMBL4692605 0.85 HTT (0.50) ALDH1A1MAPTHTTCYP1A2CYP3A4
SCHEMBL4694678 0.84 MAPT (0.45) ALDH1A1TP53MAPTHTTF2
SCHEMBL4689950 0.83 CRHBP (0.49) F2RAB9APOLBKMT2A
SCHEMBL4038318 0.81 DNM1 (0.51) F2CSNK1EPOLBTACR1
SCHEMBL4689625 0.80 F2 (0.47) ALDH1A1MAPTHTTF2CSNK1E
SCHEMBL4038828 0.78 BCHE (0.56) F2CSNK1ENPC1RAB9AKMT2A
SCHEMBL6877207 0.78 MAPT (0.58) ALDH1A1MAPTHTTCYP1A2CYP3A4
SCHEMBL4692657 0.76 CSNK1E (0.48) MAPTHTTF2CSNK1EPOLB
SCHEMBL4694780 0.76 CSNK1E (0.44) ALDH1A1MAPTHTTF2CSNK1E

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