SCHEMBL1028029

SCHEMBL1028029

CCNCCN(CC(=O)N(C)N1Cc2cccc(F)c2C1)C(=O)CNc1cc(-c2noc(C)n2)c(F)cc1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.32
AHCY P23526 1/20 0.30
HCRTR1 O43613 3/20 0.30
HCRTR2 O43614 3/20 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
Hydrochloric Acid SCHEMBL1026304 0.99 ACKR3 (0.31) ACKR3AHCY
Hydrochloric Acid SCHEMBL1027542 0.93 AHCY (0.36) ACKR3AHCY
SCHEMBL1027725 0.91 MAPK14 (0.34) ACKR3
SCHEMBL1028556 0.91 HTR1D (0.33) ACKR3AHCY
Hydrochloric Acid SCHEMBL1026889 0.90 MAPK14 (0.33) ACKR3AHCY
Hydrochloric Acid SCHEMBL1026883 0.90 HTR1D (0.33) ACKR3AHCY
Hydrochloric Acid SCHEMBL1027303 0.89 OPRK1 (0.33) AHCYHCRTR1HCRTR2
SCHEMBL1025326 0.87 ACKR3 (0.33) ACKR3AHCYHCRTR1HCRTR2
SCHEMBL1028439 0.83 ACKR3 (0.32) ACKR3AHCY
Hydrochloric Acid SCHEMBL1026609 0.83 AHCY (0.33) ACKR3AHCY

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-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed