SCHEMBL6160907

SCHEMBL6160907

NCCCCN1CCN(C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
SIGMAR1 Q99720 5/20 0.50

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
SCHEMBL9468186 0.90 P2RX7 (0.53) P2RX7SIGMAR1
SCHEMBL6170302 0.85 SIGMAR1 (0.53) SIGMAR1
SCHEMBL6163189 0.81 HTR2C (0.57) SIGMAR1
SCHEMBL7681242 0.81 P2RX7 (0.55) P2RX7SIGMAR1
SCHEMBL6164191 0.80 HTR1A (0.57) P2RX7
Hydrochloric Acid SCHEMBL7673708 0.80 P2RX7 (0.54) P2RX7SIGMAR1
SCHEMBL6783014 0.80 HTR2A (0.42)
SCHEMBL7672812 0.80 P2RX7 (0.56) P2RX7SIGMAR1
Hydrochloric Acid SCHEMBL7675560 0.79 P2RX7 (0.55) P2RX7SIGMAR1
SCHEMBL7678668 0.77 P2RX7 (0.51) P2RX7

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 2 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