SCHEMBL28809358

SCHEMBL28809358

CC1(N(N)C(=O)O)CCN(c2nc(Cl)nc3c2CCC3c2ccc(F)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LIMK2 P53671 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
PTPN11 Q06124 1/20 0.30
KIT P10721 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
SCHEMBL511790 0.84 HRH3 (0.35) HRH4HRH3ABL1BCRKIT
SCHEMBL511704 0.81 MAOB (0.36) HRH4HRH3ABL1BCR
SCHEMBL18559791 0.80 CYP3A4 (0.33) HRH4HRH3PTPN11KIT
SCHEMBL27942853 0.80 ABL1 (0.41) HRH4HRH3ABL1BCR
SCHEMBL512835 0.80 HRH3 (0.34) HRH4HRH3
SCHEMBL18559820 0.78 HRH3 (0.41) HRH4HRH3ABL1BCR
SCHEMBL513595 0.77 SMN1; SMN2 (0.43) HRH4HRH3
SCHEMBL511681 0.76 HRH3 (0.32) HRH4HRH3
SCHEMBL512628 0.76 CYP3A4 (0.34) HRH4HRH3
SCHEMBL1225782 0.75 ABL1 (0.43) HRH4HRH3ABL1BCR

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
CN-103328451-A Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2013-09-25 CN disclosed