Sugi Predict

Sugi Predict / Compounds / SCHEMBL876176

SCHEMBL876176

SCHEMBL876176

Cc1ncc2n1C(=O)N(C1CCC(N(C)C(=O)c3ccc4c(c3)C(N3C=CC=C(C(=O)O)C3C(F)(F)F)CC4)CC1)C2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.32
▸ F2 P00734 2/20 0.32
▸ BRD4 O60885 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL876177 0.78 F10 (0.33) F10F2
SCHEMBL877844 0.77 F10 (0.37) F10F2PDK2
SCHEMBL878580 0.74 ALDH1A1 (0.34) PDK2
SCHEMBL878097 0.74 KDM4A (0.35) PDK2
SCHEMBL877631 0.74 KDM4A (0.35) PDK2
SCHEMBL785928 0.74 PDE10A (0.34) F10F2BRD4PDK2
SCHEMBL877666 0.73 KDM4A (0.34) PDE4BPDK2
SCHEMBL784681 0.73 F10 (0.36) F10F2BRD4
SCHEMBL785550 0.72 ALDH1A1 (0.39) F10F2BRD4
SCHEMBL785086 0.65 F10 (0.40) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 — — EP claimed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 — — WO claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 — — EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 — — WO disclosed