SCHEMBL29564435

SCHEMBL29564435

CCCCCCCCCN1C(C)CCCC1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
MAOB P27338 1/20 0.42
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
F10 P00742 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GUSB P08236 2/20 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
SCHEMBL11587019 1.00 EBP (0.42) EBPSIGMAR1HRH3MAOBGNAI3
SCHEMBL19275137 1.00 EBP (0.42) EBPSIGMAR1HRH3MAOBGNAI3
SCHEMBL16596870 1.00 EBP (0.42) EBPSIGMAR1HRH3MAOBGNAI3
SCHEMBL19275198 1.00 EBP (0.42) EBPSIGMAR1HRH3MAOBGNAI3
SCHEMBL31094669 1.00 EBP (0.42) EBPSIGMAR1HRH3MAOBGNAI3
Hydrochloric Acid SCHEMBL31094675 0.98 GNAI3 (0.44) EBPSIGMAR1HRH3MAOBGNAI3
SCHEMBL16596865 0.98 HRH3 (0.43) EBPSIGMAR1HRH3MAOBGNAI3
SCHEMBL17706484 0.96 EBP (0.42) EBPSIGMAR1HRH3MAOBGNAI3
SCHEMBL19144863 0.93 HRH3 (0.40) EBPSIGMAR1HRH3MAOBGNAI3
SCHEMBL15363080 0.91 EBP (0.45) EBPSIGMAR1GNAI3GNAO1GNAI1

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-114560846-A Multifunctional chemical cross-linking agent and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-31 CN disclosed