SCHEMBL7796591

SCHEMBL7796591

CC(C)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.36
TAAR1 Q96RJ0 4/20 0.36
SLC18A2 Q05940 1/20 0.36
SORT1 Q99523 1/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
AADAT Q8N5Z0 1/20 0.31
HTR2B P41595 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
SCHEMBL7799021 0.88 SORT1 (0.40) SIGMAR1TAAR1SLC18A2SORT1RAB9A
SCHEMBL7799070 0.85 SIGMAR1 (0.41) SIGMAR1TAAR1SLC18A2SORT1
SCHEMBL7797839 0.84 NPC1 (0.44) RAB9ANPC1TDP1
SCHEMBL7789519 0.84 NPC1 (0.41) RAB9ANPC1L3MBTL1
SCHEMBL7796593 0.84 SORT1 (0.36) SIGMAR1TAAR1SLC18A2SORT1RAB9A
SCHEMBL7797844 0.83 SIGMAR1 (0.39) SIGMAR1TAAR1SLC18A2SORT1RAB9A
SCHEMBL7800194 0.82 SIGMAR1 (0.43) SIGMAR1TAAR1SLC18A2SORT1HTR2B
SCHEMBL7799007 0.82 SORT1 (0.34) SIGMAR1TAAR1SLC18A2SORT1RAB9A
SCHEMBL7799091 0.81 NPC1 (0.40) SORT1RAB9ANPC1L3MBTL1
SCHEMBL8178600 0.81 CTRB1 (0.42) SORT1RAB9ANPC1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed