SCHEMBL23993565

SCHEMBL23993565

CC[C@H]1C[C@@H]1c1ccc(C#N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.49
▸ HTR2A P28223 5/20 0.47
▸ HTR2C P28335 5/20 0.47
▸ HTR2B P41595 5/20 0.47
▸ SLC6A3 Q01959 4/20 0.43
▸ SLC6A2 P23975 3/20 0.43
▸ USP30 Q70CQ3 1/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL23993601 0.84 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL23993608 0.84 SLC6A4 (0.47) SLC6A4HTR2AHTR2CHTR2BSLC6A3
SCHEMBL25005998 0.80 TSHR (0.41) SLC6A4HTR2AHTR2CHTR2BSLC6A3
SCHEMBL23993664 0.78 AR (0.44) SLC6A4HTR2AHTR2CHTR2BSLC6A3
SCHEMBL23993667 0.78 SLC6A4 (0.41) SLC6A4HTR2AHTR2CHTR2BSLC6A3
SCHEMBL23995533 0.74 HTR2C (0.50) SLC6A4HTR2AHTR2CHTR2BSLC6A3
SCHEMBL23993560 0.74 HTR2A (0.41) SLC6A4HTR2AHTR2CHTR2BSLC6A3
SCHEMBL2474594 0.72 FFAR1 (0.52) USP30
SCHEMBL4509439 0.72 FFAR1 (0.52) USP30
SCHEMBL15112858 0.72 USP30 (0.47) HTR2CUSP30TSHR

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-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
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