SCHEMBL8945836

SCHEMBL8945836

CNC(CNC(=O)C(C)(C)Cc1ccccc1)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.41
RIPK1 Q13546 2/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 2/20 0.38
MMP8 P22894 2/20 0.38
ADRB3 P13945 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL8945943 0.87 L3MBTL1 (0.44) OPRK1LMNACYP3A4ADRB3
SCHEMBL8945854 0.82 RIPK1 (0.40) OPRK1RIPK1ALDH1A1CYP3A4MMP8
SCHEMBL8945899 0.81 OPRK1 (0.41) OPRK1RIPK1ALDH1A1MMP8ADRB3
SCHEMBL8945920 0.80 MMP1 (0.42) OPRK1RIPK1LMNACYP3A4MMP8
SCHEMBL8945941 0.79 RIPK1 (0.39) OPRK1RIPK1LMNAALDH1A1MMP8
SCHEMBL8945878 0.75 RIPK1 (0.39) OPRK1RIPK1MMP8
SCHEMBL31461498 0.72 OPRK1 (0.43) OPRK1RIPK1ALDH1A1
SCHEMBL1883138 0.71 RIPK1 (0.47) OPRK1RIPK1ALDH1A1CYP3A4MMP8
SCHEMBL8946029 0.71 LMNA (0.41) RIPK1LMNAALDH1A1CYP3A4GAA
SCHEMBL9321453 0.71 SLC6A2 (0.59) ALDH1A1CYP3A4GAAADRB3SLC6A2

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