SCHEMBL5597347

SCHEMBL5597347

C(CNCC1CC1)CN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.47
GNAI3 P08754 6/20 0.47
GNAI1 P63096 6/20 0.47
RAD52 P43351 1/20 0.45
HSD17B10 Q99714 1/20 0.43
CXCR4 P61073 2/20 0.43
SAT1 P21673 1/20 0.43
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2444668 0.87 GNAI3 (0.50) GNAO1GNAI3GNAI1SAT1SMN1; SMN2
SCHEMBL15065607 0.82 CXCR4 (0.54) RAD52HSD17B10CXCR4ANPEPERAP2
SCHEMBL13741426 0.79 HPGD (0.54) GNAO1GNAI3GNAI1CYP3A4CYP2D6
SCHEMBL8306633 0.78 HSD17B10 (0.46) RAD52HSD17B10CXCR4ANPEPERAP2
SCHEMBL18024048 0.78 HSD17B10 (0.46) RAD52HSD17B10CXCR4ANPEPERAP2
SCHEMBL15065509 0.77 CXCR4 (0.55) GNAO1GNAI3GNAI1RAD52HSD17B10
SCHEMBL7949267 0.76 SIGMAR1 (0.49) GNAO1GNAI3GNAI1RAD52SIGMAR1
SCHEMBL22856216 0.76 SIGMAR1 (0.49) GNAO1GNAI3GNAI1RAD52SIGMAR1
SCHEMBL8306593 0.76 ACE2 (0.57) RAD52HSD17B10CXCR4ANPEPERAP2
SCHEMBL13522068 0.76 CXCR4 (0.52) GNAO1GNAI3GNAI1RAD52HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809288-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-07-25 EP claimed
WO-2006051489-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-18 WO claimed
EP-1809288-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-07-25 EP disclosed
WO-2006051489-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-18 WO disclosed