SCHEMBL7311024

SCHEMBL7311024

COC(=O)CCCN1CCN(C2OC(=O)N(C3CCN(C)CC3)C2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RAD52 P43351 1/20 0.34
PAOX Q6QHF9 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.32
ACHE P22303 1/20 0.32
CCR5 P51681 2/20 0.31
GLA P06280 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL7311690 0.95 SMN1; SMN2 (0.41) SMN1; SMN2TP53ALDH1A1TSHRL3MBTL1
SCHEMBL7307905 0.90 FKBP1A (0.32) SMN1; SMN2TSHRL3MBTL1CCR5
SCHEMBL7314564 0.90 SMN1; SMN2 (0.33) SMN1; SMN2TP53LMNAL3MBTL1BRD4
SCHEMBL7303493 0.88 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNARAD52PAOX
SCHEMBL7306453 0.86 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAACHE
SCHEMBL7303823 0.85 PAOX (0.35) SMN1; SMN2ALDH1A1LMNARAD52PAOX
SCHEMBL7303836 0.85 SMN1; SMN2 (0.38) SMN1; SMN2TP53ALDH1A1TSHRCCR5
SCHEMBL7305450 0.84 CCR5 (0.35) SMN1; SMN2TP53ALDH1A1L3MBTL1ACHE
SCHEMBL7304874 0.84 SMN1; SMN2 (0.39) SMN1; SMN2TP53ALDH1A1HSD17B10TSHR
SCHEMBL7311246 0.83 DRD2 (0.35) SMN1; SMN2ALDH1A1LMNARAD52CHRM2

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-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed