SCHEMBL2571305

SCHEMBL2571305

COC[C@@](C)(NC(=O)Oc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCN(C)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
F10 P00742 2/20 0.35
AR P10275 5/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
DRD2 P14416 2/20 0.34
HTR2C P28335 2/20 0.34
DRD3 P35462 2/20 0.34
HTR6 P50406 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ROCK2 O75116 2/20 0.33
CYP3A4 P08684 2/20 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
SCHEMBL2571214 0.91 KDM4E (0.40) KDM4ERAB9ANPC1F10AR
SCHEMBL2568969 0.91 RAB9A (0.36) RAB9ANPC1F10ARHDAC1
SCHEMBL2566529 0.90 KDM4E (0.36) KDM4ERAB9ANPC1F10AR
SCHEMBL2568110 0.89 HDAC1 (0.34) RAB9ANPC1F10ARHDAC1
SCHEMBL2568026 0.88 PSEN1 (0.33) KDM4ERAB9ANPC1F10AR
SCHEMBL2571863 0.88 RAB9A (0.34) RAB9ANPC1F10ARHDAC1
SCHEMBL2566978 0.88 HRH3 (0.37) RAB9ANPC1ARPSEN1PSEN2
SCHEMBL2570993 0.87 NPC1 (0.33) KDM4ERAB9ANPC1F10AR
SCHEMBL3028853 0.86 F10 (0.47) KDM4ERAB9ANPC1F10AR
SCHEMBL2572738 0.86 ALOX5 (0.35) RAB9ANPC1F10ARHDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed