Sugi Predict

Sugi Predict / Compounds / SCHEMBL4772539

SCHEMBL4772539

SCHEMBL4772539

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCN(C)S(C)(=O)=O)CC1C(=O)[C@H]1CN(CCN(C)S(C)(=O)=O)C[C@H](C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.34
▸ OPRD1 P41143 3/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ KDM2B Q8NHM5 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ OPRK1 P41145 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL4751548 1.00 OPRM1 (0.34) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4751549 1.00 OPRM1 (0.34) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4028045 0.97 OPRM1 (0.35) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL13721487 0.97 OPRM1 (0.35) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4028041 0.97 OPRM1 (0.35) OPRM1OPRD1KDM1AKDM2BMEN1
SCHEMBL4779051 0.91 KDM4E (0.36) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4786324 0.90 OPRM1 (0.32) OPRM1OPRD1KDM1AKCNH2MCHR1
SCHEMBL4021234 0.90 OPRD1 (0.33) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4029041 0.88 KDM4E (0.38) OPRM1OPRD1KDM2BMEN1KMT2A
SCHEMBL4751736 0.88 KIF11 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 — — EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 — — WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 — — EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 — — WO disclosed