SCHEMBL28209265

SCHEMBL28209265

c1ccc(COC2CCCN2c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CYP2C19 P33261 2/20 0.40
TACR1 P25103 2/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSV O60911 1/20 0.39
CTSS P25774 1/20 0.39
CTSC P53634 1/20 0.39
CTSF Q9UBX1 1/20 0.39
FFAR1 O14842 1/20 0.39
SLC6A2 P23975 1/20 0.38

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
SCHEMBL11030898 0.77 FFAR1 (0.38) FFAR1
SCHEMBL1013096 0.76 CYP2C19 (0.44) HRH3TMEM97CARM1PRMT6SIGMAR1
SCHEMBL7530803 0.75 ESR1 (0.40) CTSLCTSBCTSKFFAR1
SCHEMBL21460359 0.75 SMN1; SMN2 (0.47) CYP2C19TACR1SMN1; SMN2NPC1RAB9A
SCHEMBL11508468 0.75 FFAR1 (0.44) HRH3SMN1; SMN2FFAR1SLC6A2SLC6A4
SCHEMBL16047458 0.73 KMT2A (0.39) SMN1; SMN2FFAR1
SCHEMBL1578423 0.72 SPHK2 (0.52) SMN1; SMN2NPC1RAB9A
SCHEMBL12371297 0.72 FFAR1 (0.51) FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4070124 0.71 SLC18A3 (0.40) HRH3
Oxalic Acid SCHEMBL5783002 0.71 HRH3 (0.43) HRH3SIGMAR1CYP2C19SMN1; SMN2NPC1

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
CN-107880046-B A kind of preparation method of dibenzo [b, e] azepines compound 青岛农业大学 2019-11-15 CN disclosed
CN-107880046-A A kind of preparation method of dibenzo [b, e] azepines compound 青岛农业大学 2018-04-06 CN disclosed