SCHEMBL7182602

SCHEMBL7182602

CC(NCc1ccccc1)C1(OC(N)=O)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL29156290 0.70 SIGMAR1 (0.54) MAPTL3MBTL1ALDH1A1CYP2D6MEN1
SCHEMBL29156287 0.70 SIGMAR1 (0.54) MAPTL3MBTL1ALDH1A1CYP2D6MEN1
SCHEMBL7182597 0.69 OPRM1 (0.42) ALDH1A1MEN1KMT2AATM
SCHEMBL23023178 0.69 SIGMAR1 (0.52) MAPTALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL1790979 0.69 SCN9A (0.57) MAPTL3MBTL1SIGMAR1
SCHEMBL411692 0.69 SCN9A (0.57) MAPTL3MBTL1SIGMAR1
Hydrochloric Acid SCHEMBL5966887 0.67 SCN9A (0.56) MAPTL3MBTL1SIGMAR1
SCHEMBL106076 0.67 MAPT (0.67) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL914510 0.67 MAPT (0.67) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL106075 0.67 MAPT (0.67) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed