SCHEMBL7314334

SCHEMBL7314334

COC(=O)CCCN1CCN(C2OC(=O)N(CCCN3CCN(Cc4ccccc4)CC3)C2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.42
ALDH1A1 P00352 4/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL7310167 0.98 CACNA1G (0.42) CACNA1GALDH1A1KMT2AMEN1MAPT
SCHEMBL7312588 0.96 ALDH1A1 (0.43) CACNA1GALDH1A1CHRM2CHRM4CHRM5
SCHEMBL7314139 0.96 CACNA1G (0.42) CACNA1GALDH1A1KMT2AMEN1MAPT
SCHEMBL7309596 0.94 ALDH1A1 (0.43) CACNA1GALDH1A1KMT2AMEN1MAPT
SCHEMBL7314518 0.94 ALDH1A1 (0.44) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7308900 0.92 ACHE (0.42) CHRM4DRD2DRD4
SCHEMBL7316449 0.92 ACHE (0.43) CHRM4DRD2DRD4
SCHEMBL7314534 0.92 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL7303592 0.91 ACHE (0.42) CACNA1GCHRM4DRD2DRD4
SCHEMBL7307041 0.91 KMT2A (0.44) ALDH1A1KMT2AMEN1MAPTTSHR

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