SCHEMBL22747899

SCHEMBL22747899

O=C(O)c1c(OC2CCNC2)c2cc(Cl)c(Cl)cc2n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAP2K1 Q02750 1/20 0.39
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SUCNR1 Q9BXA5 1/20 0.35
HSP90AB1 P08238 2/20 0.35
TOP2A P11388 2/20 0.35
REN P00797 1/20 0.35
FOLH1 Q04609 1/20 0.34
EDNRA P25101 1/20 0.34
UTS2R Q9UKP6 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
SCHEMBL22760197 0.88 MAPT (0.42) HTR1ASLC6A2SLC6A4SLC6A3SUCNR1
SCHEMBL22760097 0.81 CHRM4 (0.45) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL22760191 0.75 MAPK8 (0.46)
SCHEMBL22747874 0.71 MAPT (0.43) HTR2CHTR2BUTS2R
SCHEMBL22760096 0.69 REN (0.39) HTR1ASLC6A2SLC6A4SLC6A3REN
SCHEMBL22760110 0.68 VCP (0.36) FOLH1EDNRA
SCHEMBL22747915 0.66 ALDH1A1 (0.40) RENFOLH1EDNRA
SCHEMBL22747863 0.65 MAT2A (0.47) EDNRA
SCHEMBL22747852 0.65 EDNRA (0.40) FOLH1EDNRA
SCHEMBL28912331 0.64 FOLH1 (0.37) RENFOLH1EDNRA

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed