SCHEMBL16640623

SCHEMBL16640623

CN1CCN(CC(=O)O)C[C@H](Cc2ccc(N)cc2)N(CC(=O)O)Cc2cccc(n2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 2/20 0.37
LMNA P02545 1/20 0.35
DPP4 P27487 5/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
FOLH1 Q04609 1/20 0.33
DPP7 Q9UHL4 3/20 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
SCHEMBL16644695 0.92 CHIT1 (0.37) CHIT1DPP4CA1CA2CA4
SCHEMBL9906195 0.92 CHIT1 (0.37) CHIT1DPP4CA1CA2CA4
SCHEMBL16642308 0.90 CHIT1 (0.37) CHIT1DPP4FOLH1DPP7
SCHEMBL9906205 0.86 FOLH1 (0.38) CHIT1DPP4CA1CA2CA4
SCHEMBL10060134 0.84 CHIT1 (0.37) CHIT1DPP4FOLH1
SCHEMBL18807569 0.84 L3MBTL1 (0.38) CHIT1LMNADPP4FOLH1
SCHEMBL19389406 0.84 L3MBTL1 (0.38) CHIT1LMNADPP4FOLH1
SCHEMBL24296867 0.83 DRD2 (0.38) CHIT1DPP4FOLH1
SCHEMBL12238060 0.83 LMNA (0.46) CHIT1LMNADPP4CA1CA2
SCHEMBL16000433 0.83 LMNA (0.46) CHIT1LMNADPP4CA1CA2

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
US-20150105602-A1 POLYMERIC RADIATION-SOURCES IP LIBERTY VISION CORPORATION (US) 2015-04-16 US disclosed