SCHEMBL4773512

SCHEMBL4773512

C1NCC2CC12.C1NCC2CC12

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.67
CHRNB2 P17787 8/20 0.46
CHRNA4 P43681 8/20 0.46
CHRNA7 P36544 7/20 0.46
CHRNB4 P30926 7/20 0.46
CHRNA3 P32297 7/20 0.46
MAN1B1 Q9UKM7 1/20 0.38
FUCA1 P04066 2/20 0.33
GBA1 P04062 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 1/20 0.33
GLB1 P16278 1/20 0.33

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
SCHEMBL260464 1.00
SCHEMBL27541 1.00
SCHEMBL12526375 1.00
SCHEMBL1338774 1.00
SCHEMBL1162548 1.00
SCHEMBL1338772 1.00
Hydrochloric Acid SCHEMBL1613839 0.96
SCHEMBL9657294 0.96 CCR5 (0.61) CCR5CHRNB2CHRNA4CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL1613841 0.96
Hydrochloric Acid SCHEMBL22288667 0.92

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-1915148-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV Pharmaceutical, Inc. (US) 2008-04-30 EP disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed