SCHEMBL19087301

SCHEMBL19087301

C=C(N)[C@H]1CC[C@@H](Br)CC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.35

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
SCHEMBL11880935 0.85
SCHEMBL20204130 0.73
SCHEMBL10079143 0.73
SCHEMBL5049512 0.72 SMN1; SMN2 (0.41) NOS2
SCHEMBL4636245 0.71
SCHEMBL20027306 0.70 LMNA (0.50) NOS2
SCHEMBL16604395 0.69 LMNA (0.54) NOS2
SCHEMBL24983163 0.67 NOS2 (0.31) NOS2
SCHEMBL25036850 0.67 ROCK2 (0.35) NOS2
SCHEMBL24217467 0.67 LMNA (0.37) NOS2

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-2017117430-A1 REGULATORS OF THE ENDOPLASMIC RETICULUM PROTEOSTASIS NETWORK THE SCRIPPS RESEARCH INSTITUTE (US) 2017-07-06 WO disclosed