SCHEMBL6160924

SCHEMBL6160924

NCCCCN1CCN(c2ccccc2-c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.59
▸ DRD2 P14416 6/20 0.59
▸ HTR7 P34969 9/20 0.57
▸ CYP2D6 P10635 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.55
▸ HTR6 P50406 3/20 0.54
▸ HTR2A P28223 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
SCHEMBL6162906 0.82 HTR1A (0.71) HTR1ADRD2HTR7CYP2D6HTR2A
SCHEMBL15743195 0.81 MAPT (0.61) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL946834 0.80 SIGMAR1 (0.59) HTR1ADRD2HTR7CYP2D6SIGMAR1
SCHEMBL3194731 0.80 KDM4E (0.70) HTR1ADRD2HTR7CYP2D6SIGMAR1
SCHEMBL3200963 0.79 ADRA1B (0.60) HTR1ADRD2HTR7CYP2D6SIGMAR1
SCHEMBL3200107 0.79 ADRA1B (0.60) HTR1ADRD2HTR7CYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL3196048 0.79 SIGMAR1 (0.58) HTR1ADRD2HTR7CYP2D6SIGMAR1
SCHEMBL7058033 0.78 DRD3 (0.55) HTR1ADRD2CYP2D6SIGMAR1HTR2A
SCHEMBL3025110 0.78 CYP2D6 (0.90) HTR1ADRD2HTR7CYP2D6SIGMAR1
SCHEMBL3196223 0.77 HTR1A (0.57) HTR1ADRD2HTR7CYP2D6SIGMAR1

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-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 — — EP disclosed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 — — US disclosed
EP-1060163-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES Klinge Pharma GmbH (DE) 2000-12-20 — — EP disclosed
WO-1999031063-A1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE PHARMA GMBH (DE) 1999-06-24 — — WO disclosed
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