SCHEMBL28020820

SCHEMBL28020820

CC1(C)CNCCN1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
SOS1 Q07889 1/20 0.34
SOS2 Q07890 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
SCHEMBL27971606 0.98 HTR6 (0.37) HTR6SOS1SOS2
Water SCHEMBL28191062 0.96 HTR6 (0.36) HTR6SOS1SOS2
SCHEMBL2800752 0.96 SOS1 (0.34) HTR6SOS1SOS2
SCHEMBL22113129 0.92 SOS1 (0.32) SOS1SOS2
SCHEMBL6742907 0.71 HTR6 (0.34) HTR6
SCHEMBL10943620 0.70 SIGMAR1 (0.32)
SCHEMBL30279570 0.68 HTR6 (0.33) HTR6
SCHEMBL10858558 0.68 SIGMAR1 (0.32)
SCHEMBL13534531 0.68 HTR6 (0.38) HTR6
SCHEMBL10072967 0.68 HTR6 (0.38) HTR6

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-104781191-A Synthesis of Mse-framework type molecular sieves EXXONMOBIL RES & ENG CO 2015-07-15 CN disclosed