SCHEMBL8948743

SCHEMBL8948743

N#Cc1ccc(N2CC(CN3CCCC(C(=O)O)C3)OC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.50
F10 P00742 8/20 0.48
F2 P00734 3/20 0.48
KDM2B Q8NHM5 2/20 0.45
SIGMAR1 Q99720 4/20 0.41
NOTUM Q6P988 1/20 0.41
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL8948618 0.89 GRM2 (0.53) GRM2F10F2SIGMAR1NOTUM
SCHEMBL8311049 0.89 GRM2 (0.53) GRM2F10F2SIGMAR1NOTUM
SCHEMBL8948494 0.89 GRM2 (0.53) GRM2F10F2SIGMAR1NOTUM
SCHEMBL8948682 0.87 F10 (0.52) GRM2F10ITGB3ITGA2BPRSS1
SCHEMBL8948634 0.86 GRM2 (0.47) GRM2F10KDM2BSIGMAR1
SCHEMBL8948686 0.86 L3MBTL1 (0.47) GRM2F10SIGMAR1
SCHEMBL8453566 0.85 GRM2 (0.48) GRM2SIGMAR1
SCHEMBL8311318 0.84 F10 (0.49) GRM2F10F2SIGMAR1ITGB3
SCHEMBL8948681 0.84 GRM2 (0.47) GRM2SIGMAR1
SCHEMBL8948674 0.84 GRM2 (0.46) GRM2SIGMAR1

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed