SCHEMBL8306631

SCHEMBL8306631

[O]CCNCCCN1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.46
HSD17B10 Q99714 1/20 0.42
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
RAD52 P43351 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PAOX Q6QHF9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL15065607 0.90 CXCR4 (0.54) CXCR4HSD17B10ANPEPERAP2SIGMAR1
SCHEMBL3522881 0.88 ANPEP (0.50) CXCR4HSD17B10ANPEPERAP2SIGMAR1
SCHEMBL8305369 0.85 ANPEP (0.47) CXCR4HSD17B10ANPEPERAP2SIGMAR1
SCHEMBL15065509 0.84 CXCR4 (0.55) CXCR4HSD17B10ANPEPERAP2SIGMAR1
SCHEMBL8306593 0.82 ACE2 (0.57) CXCR4HSD17B10ANPEPERAP2SIGMAR1
SCHEMBL15065656 0.82 CXCR4 (0.59) CXCR4HSD17B10ANPEPERAP2SIGMAR1
SCHEMBL15065371 0.82 CXCR4 (0.59) CXCR4HSD17B10ANPEPERAP2SIGMAR1
SCHEMBL15066181 0.82 CXCR4 (0.59) CXCR4HSD17B10ANPEPERAP2SIGMAR1
SCHEMBL8309991 0.82 SCN5A (0.46) SIGMAR1SMN1; SMN2PAOXACE2L3MBTL1
SCHEMBL8306633 0.81 HSD17B10 (0.46) CXCR4HSD17B10ANPEPERAP2SIGMAR1

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed