SCHEMBL21751778

SCHEMBL21751778

CCCCCOc1nc2c(ccn2COCC[Si](C)(C)C)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.33
▸ FAAH O00519 1/20 0.30
▸ MGLL Q99685 1/20 0.30
▸ APAF1 O14727 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAD52 P43351 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL25886857 0.97 DGAT1 (0.38) DGAT1HRH3
SCHEMBL21751562 0.93 DGAT1 (0.38) DGAT1
Ammonia Solution, Strong SCHEMBL28939497 0.92 DGAT1 (0.38) DGAT1
SCHEMBL21751788 0.89 DGAT1 (0.36) DGAT1
SCHEMBL23165244 0.89 DGAT1 (0.37) DGAT1
SCHEMBL30018625 0.89 DGAT1 (0.37) DGAT1
SCHEMBL25615934 0.89 DGAT1 (0.37) DGAT1
SCHEMBL25349464 0.85 DGAT1 (0.38) DGAT1
SCHEMBL20767577 0.84 DGAT1 (0.34) DGAT1
SCHEMBL26195129 0.83 DGAT1 (0.34) DGAT1

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-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
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