SCHEMBL1028092

SCHEMBL1028092

CCn1nc(-c2ccc(C)c(NCC(=O)N(CCNC(C)C)CC(=O)N(C)N3Cc4ccccc4C3)c2)oc1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 11/20 0.37
IL2 P60568 1/20 0.37
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
GAA P10253 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
Hydrochloric Acid SCHEMBL1024199 0.99 ACKR3 (0.37) ACKR3IL2GRIN1GRIN2B
Hydrochloric Acid SCHEMBL1028346 0.94 ACKR3 (0.37) ACKR3IL2GRIN1GRIN2B
SCHEMBL1025864 0.92 ACKR3 (0.36) ACKR3IL2GRIN1GRIN2B
SCHEMBL1028136 0.92 IL2 (0.38) ACKR3IL2GRIN1GRIN2BGAA
Hydrochloric Acid SCHEMBL1027482 0.91 ACKR3 (0.36) ACKR3IL2GRIN1GRIN2B
Hydrochloric Acid SCHEMBL1025536 0.91 IL2 (0.37) ACKR3IL2GRIN1GRIN2BGAA
SCHEMBL1025983 0.86 ACKR3 (0.42) ACKR3IL2GRIN1GRIN2B
Hydrochloric Acid SCHEMBL1027454 0.86 ACKR3 (0.36) ACKR3
Hydrochloric Acid SCHEMBL1026783 0.85 IL2 (0.36) ACKR3IL2GRIN1GRIN2BGAA
Hydrochloric Acid SCHEMBL1025954 0.85 ACKR3 (0.36) ACKR3IL2GRIN1GRIN2B

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