SCHEMBL8217052

SCHEMBL8217052

COCCOc1ccc2c(c1Br)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.36
HTR1A P08908 3/20 0.36
S1PR1 P21453 1/20 0.34
CXCR2 P25025 1/20 0.34
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FHIT P49789 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2C P28335 2/20 0.32
FGFR4 P22455 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6167914 0.82 HPGD (0.42) S1PR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6029996 0.81 PTGES (0.40) HTR1AMEN1ALDH1A1KMT2ANPC1
Ethane SCHEMBL6029074 0.80 PTGES (0.39) HTR1AMEN1ALDH1A1KMT2ANPC1
SCHEMBL29660392 0.80 HTR2A (0.41) ADRA1AMEN1ALDH1A1KMT2ANPC1
SCHEMBL6168691 0.80 HTR2A (0.41) ADRA1AMEN1ALDH1A1KMT2ANPC1
SCHEMBL24575397 0.79 HTT (0.35) KMT2AKDM4E
SCHEMBL6029078 0.79 PTPN11 (0.42) HTR1AALDH1A1KDM4EHPGD
SCHEMBL22102585 0.76 HTR2C (0.41) ADRA1AALDH1A1NPC1HTR2CHTR2B
SCHEMBL22802353 0.71 RXRB (0.49) SLC6A4L3MBTL1
SCHEMBL8195029 0.69 MEN1 (0.43) CXCR2MEN1ALDH1A1KMT2AFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed