SCHEMBL28264228

SCHEMBL28264228

O=[C]Cc1ccc(C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2D6 P10635 1/20 0.37
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
LMNA P02545 3/20 0.35
HRH1 P35367 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.34
HTR2A P28223 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2224 0.79
SCHEMBL9499016 0.78 CALM1 (0.60) SLC6A2SLC6A4SLC6A3HDAC1HDAC8
SCHEMBL27462691 0.78 CALM1 (0.60) LMNATSHRHTR2ATAAR1
SCHEMBL28377926 0.77 CALM1 (0.50) HDAC8HDAC6TSHRHTR2AMEN1
SCHEMBL29073219 0.77 CALM1 (0.50) HDAC8HDAC6TSHRHTR2AMEN1
SCHEMBL11139354 0.76 CYP3A4 (0.42) TSHRKMT2A
SCHEMBL1271150 0.76 TAAR1 (0.50) LMNATSHRMEN1KMT2ATAAR1
SCHEMBL27672051 0.76 MAOA (0.50) HDAC1HTR2ATAAR1
SCHEMBL8023647 0.76 PGK1 (0.36) LMNATSHRHTR2AMEN1KMT2A
Diphenylmethane SCHEMBL11228811 0.75 CALM1 (0.50) SLC6A2SLC6A4SLC6A3HDAC1HDAC8

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
CN-108977446-A The RNAi reagent of modification 阿尔尼拉姆医药品有限公司 2018-12-11 CN disclosed