SCHEMBL7808704

SCHEMBL7808704

O=C(O)C1CNCCC1Cc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2511016 0.79 KMT2A (0.44) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL7800982 0.72 GBA1 (0.37)
SCHEMBL2636787 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL7806051 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7441689 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL7807705 0.72 CYP2D6 (0.48)
Hydrochloric Acid SCHEMBL7800914 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7807670 0.71 SLC6A2 (0.51)
SCHEMBL20706383 0.71 SLC6A1 (0.41) LMNATSHRSMN1; SMN2
SCHEMBL7806034 0.70 CTSK (0.45) MAPT

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-1119553-A1 MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF GEORGETOWN UNIVERSITY (US) 2001-08-01 EP disclosed
WO-2000020390-A1 MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF GEORGETOWN UNIVERSITY (US) 2000-04-13 WO disclosed