SCHEMBL2827173

SCHEMBL2827173

CC(NCCc1ccc(Cl)cc1)C(=N)N(C#N)C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
HSD17B10 Q99714 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL2822318 0.77 HSD11B1 (0.38)
SCHEMBL2822315 0.77 HSD11B1 (0.38)
SCHEMBL2822321 0.76 P2RX7 (0.35) P2RX7HSD17B10GAALMNAPOLB
SCHEMBL232419 0.75 EPHX2 (0.43) LMNAPOLBKMT2A
SCHEMBL2827165 0.72 HSD11B1 (0.34)
SCHEMBL2824066 0.70 HSD11B1 (0.42)
SCHEMBL2828163 0.69 HSD11B1 (0.32)
SCHEMBL2824564 0.67 TSHR (0.36) NPSR1GAALMNA
SCHEMBL2826753 0.67 HSD11B1 (0.41) LMNA
SCHEMBL232420 0.67 MEN1 (0.36) P2RX7KMT2A

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-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed