SCHEMBL20749451

SCHEMBL20749451

C=CCN(C)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
NFE2L2 Q16236 1/20 0.35
DHFR P00374 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL8611414 0.87 DHFR (0.39) KMT2ADHFR
SCHEMBL10931233 0.83 NFE2L2 (0.39) HTR7TAAR1NPC1RAB9AKMT2A
SCHEMBL29955310 0.82 HTR7 (0.44) HTR7TAAR1NPC1RAB9AKMT2A
SCHEMBL5543014 0.79 HTR7 (0.43) HTR7TAAR1NPC1RAB9AKMT2A
SCHEMBL8613693 0.79 ALDH1A1 (0.55) HTR7ACHE
SCHEMBL21020669 0.79 TP53 (0.46) NPC1RAB9ASLC6A2SLC6A4DHFR
SCHEMBL7223872 0.79 PYCR1 (0.42) HTR7TAAR1KMT2ADHFRRIPK1
SCHEMBL21021269 0.77 APP (0.44) HTR7TAAR1SLC6A2SLC6A4DHFR
SCHEMBL9809614 0.77 HTR7 (0.44) HTR7TAAR1NPC1RAB9AKMT2A
SCHEMBL22968467 0.77 HTR7 (0.38) HTR7TAAR1NPC1RAB9AKMT2A

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-3444237-B1 IRIDINESULFONAMIDE COMPOUND AND USE METHOD THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2020-10-28 EP disclosed
EP-3444237-A1 IRIDINESULFONAMIDE COMPOUND AND USE METHOD THEREOF Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-02-20 EP disclosed