SCHEMBL28952936

SCHEMBL28952936

CC(C)(C)OC(=O)N(c1ccc(Br)cc1)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.40
CHRM2 P08172 3/20 0.39
CHRM3 P20309 3/20 0.39
SLC6A4 P31645 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 4/20 0.37
HRH3 Q9Y5N1 2/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2588241 0.90 CHRM2 (0.42) CHRM2CHRM3MEN1KMT2AHRH3
SCHEMBL27928340 0.89 CHRM2 (0.42) CHRM2CHRM3MEN1KMT2AHRH3
SCHEMBL17560116 0.88 TACR1 (0.41) TACR1CHRM2CHRM3SLC6A4MEN1
SCHEMBL27808000 0.87 TACR1 (0.40) TACR1SLC6A4MEN1KMT2ASLC6A2
SCHEMBL12469312 0.86 SLC6A2 (0.46) TACR1CHRM3SLC6A4MEN1KMT2A
SCHEMBL9900770 0.82 NPC1 (0.40) TACR1SLC6A4SLC6A2SLC6A3NPC1
SCHEMBL5823064 0.80 TACR1 (0.48) TACR1SLC6A4MEN1KMT2ASLC6A2
SCHEMBL23632625 0.79 SLC6A4 (0.47) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL573598 0.78 QPCT (0.41) TACR1SLC6A4MEN1KMT2ASLC6A2
SCHEMBL1524439 0.78 MAOB (0.48) CHRM2CHRM3HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106522789-B A kind of automatic open-close anti-explosion fire safety-door device 江苏建筑职业技术学院 2018-04-03 CN claimed
CN-106522789-A Automatic opening and closing explosion-proof and fireproof safety door device and working method thereof 江苏建筑职业技术学院 2017-03-22 CN claimed
CN-106522789-B A kind of automatic open-close anti-explosion fire safety-door device 江苏建筑职业技术学院 2018-04-03 CN disclosed
CN-106522789-A Automatic opening and closing explosion-proof and fireproof safety door device and working method thereof 江苏建筑职业技术学院 2017-03-22 CN disclosed