SCHEMBL9528556

SCHEMBL9528556

ClCC1(Cc2ccccc2)CNCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.40
SLC6A4 P31645 14/20 0.40
SLC6A3 Q01959 14/20 0.40
CYP2D6 P10635 7/20 0.36
SIGMAR1 Q99720 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL1774399 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13734320 0.80 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27695148 0.79 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Bromide SCHEMBL9784507 0.76 MMP9 (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL27739954 0.75 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1961851 0.74 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL5841607 0.74 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL8678876 0.74 MEN1 (0.36) SLC6A2SLC6A4SLC6A3SIGMAR1TSHR
SCHEMBL9523728 0.73 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2447397 0.72 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105873920-B As 5-HT4The indazole compound of receptor stimulating agent 苏文生命科学有限公司 2018-06-08 CN disclosed
EP-0286495-B1 MORPHOLINE DERIVATIVES, THEIR PROCESS OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-05-12 EP disclosed
EP-0286495-A1 Morpholine derivatives, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1988-10-12 EP disclosed