SCHEMBL8945943

SCHEMBL8945943

CNC(CNC(=O)C(C)(C)Cc1ccccc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB3 P13945 2/20 0.43
EPHX2 P34913 1/20 0.42
OPRK1 P41145 2/20 0.42
SLC1A2 P43004 1/20 0.41
KCNA5 P22460 3/20 0.40
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL8945836 0.87 OPRK1 (0.41) LMNAADRB3OPRK1CYP3A4
SCHEMBL8945854 0.79 RIPK1 (0.40) SMN1; SMN2OPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL8945899 0.78 OPRK1 (0.41) ADRB3OPRK1
SCHEMBL8945920 0.74 MMP1 (0.42) LMNAHPGDSMN1; SMN2OPRK1CYP3A4
SCHEMBL8945941 0.74 RIPK1 (0.39) L3MBTL1LMNAHTTSMN1; SMN2OPRK1
SCHEMBL8866135 0.73 CYP1A2 (0.63) L3MBTL1LMNAHPGDHTTSMN1; SMN2
SCHEMBL8945878 0.73 RIPK1 (0.39) OPRK1
SCHEMBL19464263 0.72 TBXAS1 (0.55) EPHX2CYP2C9CYP2C19
SCHEMBL6954926 0.72 ITGB3 (0.52) L3MBTL1LMNAHPGDHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6954064 0.71 ITGB3 (0.51) L3MBTL1LMNAHPGDHTTSMN1; SMN2

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
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed