SCHEMBL5567162

SCHEMBL5567162

CN1CCOCCN1c1ccc(NC(=O)C2(NC(=O)Oc3ccc(Br)s3)CCOC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.36
TRPV1 Q8NER1 3/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 6/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BLM P54132 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL6454161 0.86 HTT (0.43) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL5564193 0.78 TRPV1 (0.39) FAAHTRPV1NPC1RAB9ALMNA
SCHEMBL5502455 0.77 F10 (0.42) FAAHTRPV1
SCHEMBL5509457 0.76 F10 (0.37) FAAHTRPV1NPC1RAB9ALMNA
SCHEMBL5513037 0.76 F10 (0.37) FAAHTRPV1
SCHEMBL5506302 0.76 F10 (0.37) FAAHTRPV1HPGDALDH1A1KDM4E
SCHEMBL5503069 0.75 F10 (0.46) FAAHTRPV1NPC1RAB9ALMNA
SCHEMBL5509302 0.75 F10 (0.37) FAAHTRPV1NPC1RAB9ALMNA
SCHEMBL5509110 0.75 F10 (0.38) FAAHTRPV1
SCHEMBL5563008 0.74 FAAH (0.36) FAAHTRPV1LMNAMAPTHPGD

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
EP-1748997-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-07 EP disclosed
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed