SCHEMBL19980682

SCHEMBL19980682

NCCCCN1CCNCC1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.35
SSTR4 P31391 2/20 0.31
SSTR3 P32745 2/20 0.31
SSTR5 P35346 2/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
F10 P00742 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL22123100 0.95 CXCR4 (0.33) CXCR4F10
SCHEMBL4340726 0.87 ALOX15 (0.31) F10
SCHEMBL5337457 0.82 JAK2 (0.34) F10
SCHEMBL27789194 0.82 F10 (0.31) F10
SCHEMBL161338 0.82 MEN1 (0.43)
Bromide SCHEMBL28435713 0.81 MEN1 (0.42)
SCHEMBL6566169 0.81 GBA1 (0.43)
SCHEMBL1583492 0.81 GBA1 (0.43)
Hydrochloric Acid SCHEMBL1662690 0.81 MEN1 (0.42)
SCHEMBL1583265 0.80 MEN1 (0.49)

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-2787043-B1 USE OF ORGANOGELATOR DERIVATIVES IN BITUMINOUS COMPOSITIONS TO IMPROVE THE RESISTANCE THEREOF TO CHEMICAL ATTACKS TOTAL MARKETING SERVICES (FR) 2018-03-21 EP disclosed