SCHEMBL9023588

SCHEMBL9023588

O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.67
SIGMAR1 Q99720 5/20 0.65
PRKAA2 P54646 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
CHRM4 P08173 2/20 0.55
CHRM2 P08172 1/20 0.55
CCR3 P51677 1/20 0.54
DRD4 P21917 4/20 0.54
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9024669 0.83 ITGB3 (0.60) DPP7SMN1; SMN2
SCHEMBL23744068 0.83 CHRM4 (0.72) DPP7SIGMAR1CHRM4CHRM2CCR3
Hydrochloric Acid SCHEMBL9023772 0.82 ITGB3 (0.59) DPP7SMN1; SMN2
SCHEMBL518042 0.82 PRKAA2 (0.90) PRKAA2
SCHEMBL23744552 0.81 CHRM4 (0.75) DPP7CHRM4CHRM2
SCHEMBL7361343 0.80 POLB (0.59) DPP7SIGMAR1PRKAA2SMN1; SMN2CHRM4
SCHEMBL8838013 0.80 SMN1; SMN2 (0.52) DPP7SIGMAR1SMN1; SMN2CHRM4CHRM2
SCHEMBL4985269 0.79 SIGMAR1 (0.57) DPP7SIGMAR1SMN1; SMN2CHRM2CCR3
SCHEMBL10284376 0.79 PRKAA2 (0.72) PRKAA2
SCHEMBL16026613 0.78 DPP7 (0.81) DPP7SIGMAR1SMN1; SMN2CCR3DRD4

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-0718287-A2 Piperazine derivatives, medicaments containing them, their use, and processes for their preparation Dr. Karl Thomae GmbH (DE) 1996-06-26 EP disclosed