SCHEMBL3958997

SCHEMBL3958997

ON=C1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.66
GRIN2B Q13224 2/20 0.59
POLB P06746 1/20 0.57
LTA4H P09960 1/20 0.55

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
SCHEMBL6944406 0.90 SLC6A3 (0.59) SIGMAR1
SCHEMBL8114316 0.90 SLC6A3 (0.59) SIGMAR1
Hydrochloric Acid SCHEMBL10464381 0.89 SLC6A3 (0.58) SIGMAR1
SCHEMBL3451685 0.83 DRD2 (0.46) SIGMAR1GRIN2B
SCHEMBL8099349 0.81 TEAD3 (0.56) SIGMAR1LTA4H
SCHEMBL6944656 0.81 TEAD3 (0.56) SIGMAR1LTA4H
SCHEMBL6942105 0.81 NAMPT (0.45) SIGMAR1GRIN2B
SCHEMBL6550825 0.80 SIGMAR1 (1.00) SIGMAR1POLBLTA4H
SCHEMBL2962629 0.80 SIGMAR1 (1.00) SIGMAR1POLBLTA4H
SCHEMBL6947746 0.80 TEAD3 (0.52) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009033689-A1 PIPERIDONE DERIVATIVES AND MEDICAL USES THEREOF HEINRICH-PETTE-INSTITUT (DE) 2009-03-19 WO disclosed
EP-2036556-A1 Piperidone derivatives and medical uses thereof Heinrich-Pette-Institut (DE) 2009-03-18 EP disclosed
EP-2036556-A1 Piperidone derivatives and medical uses thereof Heinrich-Pette-Institut (DE) 2009-03-18 EP disclosed