SCHEMBL7304274

SCHEMBL7304274

COC(=O)CCCN1CCN(C2OC(=O)N(CCN3CCN(C4CC4)CC3)C2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
HTR7 P34969 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
SCHEMBL7316521 0.94 SMN1; SMN2 (0.41) SMN1; SMN2GRIN2BTP53HSD17B10TSHR
SCHEMBL7303823 0.93 PAOX (0.35) SMN1; SMN2GLATSHRLMNA
SCHEMBL7316738 0.91 GRIN1 (0.40) CHRM2CHRM1GRIN1GRIN2BHSD17B10
SCHEMBL7313193 0.90 SIGMAR1 (0.33) SMN1; SMN2BRD4OPRM1HTR7
SCHEMBL7310298 0.90 HTR4 (0.32) SMN1; SMN2CHRM2CHRM1
SCHEMBL7313428 0.88 CYP1A2 (0.37) SMN1; SMN2CHRM2CHRM1GRIN1GRIN2B
SCHEMBL7318029 0.87 GRIN1 (0.40) SMN1; SMN2CHRM2CHRM1GRIN1GRIN2B
SCHEMBL7315016 0.87 CHRM2 (0.38) CHRM2CHRM1GRIN1GRIN2BHSD17B10
SCHEMBL7309020 0.87 CHRM2 (0.38) SMN1; SMN2CHRM2CHRM1GRIN1GRIN2B
SCHEMBL7307179 0.86 OPRL1 (0.33) SMN1; SMN2GLACHRM2

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