SCHEMBL17599733

SCHEMBL17599733

N#Cc1cccc(C(=O)OC[C@H]2CCCN2c2ccnc3ncnn23)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.53
PDE2A O00408 7/20 0.47
PDE3A Q14432 3/20 0.47
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
EGLN2 Q96KS0 2/20 0.40
CHRM3 P20309 1/20 0.40
PREP P48147 1/20 0.39

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
SCHEMBL17599734 1.00 METAP2 (0.53) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1333134 0.88 PDE2A (0.59) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1333130 0.88 PDE2A (0.59) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1331935 0.87 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1333550 0.87 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1333552 0.87 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1331485 0.87 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1331931 0.87 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1331482 0.87 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL17599723 0.87 METAP2 (0.60) METAP2PDE2APDE3ACHRNB2CHRNA4

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-2379558-B1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-03-23 EP claimed