SCHEMBL8306592

SCHEMBL8306592

[NH]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
SIGMAR1 Q99720 2/20 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
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 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
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL8307067 0.88 HSD17B10 (0.48) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL8311065 0.85 RAD52 (0.47) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL15065509 0.84 CXCR4 (0.55) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL8306593 0.82 ACE2 (0.57) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL15065371 0.82 CXCR4 (0.59) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL15065656 0.82 CXCR4 (0.59) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL15066181 0.82 CXCR4 (0.59) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL8310657 0.82 SCN5A (0.46) SIGMAR1SMN1; SMN2ACE2L3MBTL1PAOX
SCHEMBL8306633 0.81 HSD17B10 (0.46) CXCR4HSD17B10SIGMAR1RAD52POLB

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