SCHEMBL8840416

SCHEMBL8840416

CCOCc1nccc(N(OCc2ccccc2)[C@H]2CC[C@@H](c3ccc(OCC)cc3)CC2)c1OCC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CXCR3 P49682 1/20 0.33
AVPR1A P37288 1/20 0.33
NPC1 O15118 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
LMNA P02545 2/20 0.31
KCNH2 Q12809 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
LIPG Q9Y5X9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PRMT5 O14744 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
SCHEMBL8840380 0.94 KDM4E (0.34) AVPR1AKDM4EPRMT5
SCHEMBL8840454 0.89 TP53 (0.34) TP53MRGPRX4CXCR3NPC1KDM1A
SCHEMBL9033920 0.85 TP53 (0.35) TP53MRGPRX4CXCR3NPC1KDM1A
SCHEMBL8840494 0.84 KMT2A (0.34) AVPR1APRMT5
SCHEMBL8840493 0.82 AVPR1A (0.31) AVPR1APRMT5
SCHEMBL8840423 0.82 HRH3 (0.36) TP53MRGPRX4KDM1AMAOAMAOB
SCHEMBL8840399 0.82 HRH3 (0.35) MRGPRX4KDM1AMAOAMAOBHRH3
SCHEMBL9035774 0.82 KDM4E (0.35) MRGPRX4KDM1AMAOAMAOBHRH3
SCHEMBL8840408 0.81 FOXM1 (0.34) TP53MRGPRX4NPC1KDM1AMAOA
SCHEMBL8840410 0.81 FOXM1 (0.34) TP53MRGPRX4NPC1KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed