SCHEMBL3947017

SCHEMBL3947017

C1CN(CCC2CCOCC2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.40
GNAO1 P09471 4/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCR4 P61073 4/20 0.37
HSD17B10 Q99714 1/20 0.34
GNAI3 P08754 3/20 0.34
GNAI1 P63096 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
GBA1 P04062 2/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL3957664 0.89 RAD52 (0.38) RAD52GNAO1POLBSMN1; SMN2CXCR4
SCHEMBL6921606 0.86 RAD52 (0.46) RAD52GNAO1POLBSMN1; SMN2CXCR4
SCHEMBL4836080 0.86 RAD52 (0.46) RAD52GNAO1POLBSMN1; SMN2CXCR4
SCHEMBL2238689 0.85 GNAO1 (0.46) GNAO1SMN1; SMN2GNAI3GNAI1ALDH1A1
SCHEMBL12843901 0.84 GNAO1 (0.51) RAD52GNAO1POLBSMN1; SMN2CXCR4
Hydrochloric Acid SCHEMBL6407048 0.83 GNAO1 (0.49) GNAO1SMN1; SMN2GNAI3GNAI1ALDH1A1
Hydrochloric Acid SCHEMBL27752774 0.82 GNAO1 (0.54) RAD52GNAO1POLBSMN1; SMN2CXCR4
SCHEMBL12397 0.82 CYP1A2 (0.42) SMN1; SMN2ALDH1A1DRD2HTR2ADRD3
SCHEMBL11181437 0.82 RAD52 (0.52) RAD52GNAO1POLBSMN1; SMN2CXCR4
SCHEMBL5745344 0.80 GBA1 (0.45) RAD52ALDH1A1GBA1

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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed