SCHEMBL8945941

SCHEMBL8945941

CNC(CNC(=O)C(C)(C)Cc1ccccc1)c1ccc(C)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
OPRK1 P41145 4/20 0.38
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP8 P22894 6/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8945920 0.82 MMP1 (0.42) RIPK1OPRK1NPC1RAB9ASMN1; SMN2
SCHEMBL8945836 0.79 OPRK1 (0.41) RIPK1OPRK1RAB9AMMP8LMNA
SCHEMBL8945878 0.78 RIPK1 (0.39) RIPK1OPRK1MMP8OPRM1OPRD1
SCHEMBL8945899 0.77 OPRK1 (0.41) RIPK1OPRK1MMP8OPRM1OPRD1
SCHEMBL8945854 0.75 RIPK1 (0.40) RIPK1OPRK1SMN1; SMN2MMP8OPRM1
SCHEMBL8945943 0.74 L3MBTL1 (0.44) OPRK1SMN1; SMN2L3MBTL1LMNACYP2D6
SCHEMBL1883138 0.70 RIPK1 (0.47) RIPK1OPRK1NPC1RAB9ASMN1; SMN2
SCHEMBL8945931 0.68 MEN1 (0.49) RIPK1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8946105 0.68 RIPK1 (0.38) RIPK1MMP8
SCHEMBL8945937 0.67 ALOX5 (0.36) RIPK1OPRK1NPC1RAB9ASMN1; 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