SCHEMBL19670183

SCHEMBL19670183

CCN1CC[C@@H](C)N(C(=O)Nc2ccncc2F)c2nc(-c3cccc(Cl)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.36
▸ ROCK2 O75116 14/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ CYBB P04839 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GPBAR1 Q8TDU6 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
SCHEMBL17655361 0.85 ROCK2 (0.36) ROCK2TSHRGPBAR1
SCHEMBL19670357 0.85 MPL (0.41) GRM5
SCHEMBL17618360 0.81 GRM5 (0.37) GRM5HTTCYBB
SCHEMBL17618645 0.80 GRM5 (0.40) GRM5HTT
SCHEMBL19670155 0.79 HDAC2 (0.36) ROCK2MTORHTT
SCHEMBL19670423 0.79 TRPV3 (0.38) ROCK2HTT
SCHEMBL17655376 0.78 HTR2A (0.37) ROCK2TSHR
SCHEMBL19670236 0.78 DHODH (0.40) ROCK2
SCHEMBL19670220 0.77 ROCK2 (0.34) ROCK2MTOR
SCHEMBL19670179 0.77 HTR2C (0.46) TSHR

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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