SCHEMBL9544845

SCHEMBL9544845

O=C(O)[C@H]1CC[C@@H](Cc2ccccc2)N1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2C19 P33261 1/20 0.41
GBA1 P04062 1/20 0.41
TSHR P16473 1/20 0.40
DPP4 P27487 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
SCHEMBL17799770 1.00 POLB (0.45) POLBKDM4EMAPTHIF1ACYP2C19
SCHEMBL17799771 1.00 POLB (0.45) POLBKDM4EMAPTHIF1ACYP2C19
SCHEMBL29273739 0.82 CYP2C9 (0.47) HIF1ACYP2C19DPP4
SCHEMBL29273738 0.82 CYP2C9 (0.47) HIF1ACYP2C19DPP4
SCHEMBL5530485 0.81 POLB (0.57) POLBGBA1
SCHEMBL7385941 0.81 TSHR (0.52) POLBMAPTTSHR
SCHEMBL7385946 0.81 TSHR (0.52) POLBMAPTTSHR
SCHEMBL16397407 0.78 HRH3 (0.42) POLBGBA1
SCHEMBL16397408 0.78 HRH3 (0.42) POLBGBA1
Hydrochloric Acid SCHEMBL5550665 0.78 KDM4E (0.40) KDM4EMAPTHIF1ACYP2C19GBA1

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed