SCHEMBL14824971

SCHEMBL14824971

IN1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.81
CCR3 P51677 1/20 0.64
POLB P06746 1/20 0.64
LTA4H P09960 1/20 0.62
GRIN2B Q13224 1/20 0.61

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
SCHEMBL6550825 0.90 SIGMAR1 (1.00) SIGMAR1CCR3POLBLTA4H
SCHEMBL2962629 0.90 SIGMAR1 (1.00) SIGMAR1CCR3POLBLTA4H
SCHEMBL22878449 0.89 SLC6A3 (0.68) SIGMAR1CCR3
SCHEMBL11801794 0.83 CCR3 (0.89) SIGMAR1CCR3
SCHEMBL3593088 0.83 SIGMAR1 (0.89) SIGMAR1CCR3POLBLTA4HGRIN2B
SCHEMBL8092982 0.82 SIGMAR1 (0.85) SIGMAR1CCR3
SCHEMBL5302082 0.82 LTA4H (0.86) SIGMAR1CCR3POLBLTA4HGRIN2B
SCHEMBL3633616 0.81 SIGMAR1 (0.81) SIGMAR1CCR3POLBLTA4H
SCHEMBL11399131 0.81 SIGMAR1 (0.81) SIGMAR1CCR3POLBLTA4H
SCHEMBL7329630 0.81 SIGMAR1 (0.81) SIGMAR1CCR3POLBLTA4H

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-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed