SCHEMBL8341980

SCHEMBL8341980

CCCC(O)(CCC)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
AHR P35869 2/20 0.40
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 2/20 0.37
ALOX15 P16050 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
PGR P06401 1/20 0.37
THRB P10828 1/20 0.37
ADRB3 P13945 1/20 0.37
OPRK1 P41145 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL22763532 0.93 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM3MEN1
SCHEMBL2065340 0.90 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM3MEN1
SCHEMBL8347844 0.89 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1AHRCHRM3MEN1
SCHEMBL11679867 0.87 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM3ALOX15
SCHEMBL11683565 0.86 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1ALOX15LMNAKDM4E
SCHEMBL8341741 0.84 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1AHRCHRM3MEN1
SCHEMBL21742085 0.82 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM3ALOX15
SCHEMBL22420949 0.80 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM3MEN1
SCHEMBL23364963 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM3MEN1
SCHEMBL30471943 0.78 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247575-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed
US-5969166-A RUTHENIUM OR MOLYBDENUM CATALYSTS FOR EPOXIDATION OF ALKENES WITH OXYGEN HOECHST AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed