SCHEMBL6892337

SCHEMBL6892337

CC(O)C(N)C(NCc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MASP2 O00187 1/20 0.47
PNMT P11086 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TACR1 P25103 3/20 0.42
NR3C2 P08235 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL3649450 0.90 TACR1 (0.46) LMNAMASP2CYP1A2CYP2D6CYP2C19
SCHEMBL6895745 0.86 LMNA (0.47) LMNACYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6894820 0.85 CYP1A2 (0.60) LMNACYP1A2CYP2D6CYP2C19NR3C2
SCHEMBL6890574 0.85 PLA2G1B (0.52) LMNAPNMTCYP1A2CYP2D6CYP2C19
SCHEMBL3641583 0.84 CYP1A2 (0.41) LMNAMASP2CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7112448 0.84 MEN1 (0.43) LMNACYP1A2CYP2D6CYP2C19IDO1
SCHEMBL165645 0.82 CASR (0.57) MEN1KMT2A
SCHEMBL4307949 0.82 KMT2A (0.40) LMNAMEN1KMT2A
SCHEMBL4692485 0.82 CASR (0.57) MEN1KMT2A
SCHEMBL3645149 0.82 BCHE (0.52) TACR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed