SCHEMBL2166450

SCHEMBL2166450

c1ccc(CCCN2CCN(C3Cc4ccccc4C3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.67
GRIN2B Q13224 2/20 0.56
CCR3 P51677 1/20 0.54
POLB P06746 1/20 0.54

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
Hydrochloric Acid SCHEMBL1299068 0.98 SIGMAR1 (0.65) SIGMAR1GRIN2BCCR3POLB
SCHEMBL1299275 0.83 SIGMAR1 (0.69) SIGMAR1
SCHEMBL2330002 0.82 SIGMAR1 (0.67) SIGMAR1
Hydrochloric Acid SCHEMBL1298985 0.82 SIGMAR1 (0.67) SIGMAR1
SCHEMBL6550825 0.82 SIGMAR1 (1.00) SIGMAR1CCR3POLB
SCHEMBL2962629 0.82 SIGMAR1 (1.00) SIGMAR1CCR3POLB
Hydrochloric Acid SCHEMBL2328647 0.81 SIGMAR1 (0.65) SIGMAR1
SCHEMBL11797129 0.79 SIGMAR1 (0.58) SIGMAR1GRIN2B
SCHEMBL3593088 0.79 SIGMAR1 (0.89) SIGMAR1GRIN2BCCR3POLB
SCHEMBL1299524 0.77 HTR2C (0.59) SIGMAR1GRIN2B

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
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US claimed