SCHEMBL30801792

SCHEMBL30801792

CC(CN1CCN2CCNC[C@@H]2C1=O)c1ccc(C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ HTR2C P28335 3/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ EP300 Q09472 4/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ PANK3 Q9H999 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL30801876 0.87 DRD2 (0.38) HTR2CHTR2BHTR2A
SCHEMBL30801854 0.86 ZDHHC9 (0.38) —
SCHEMBL30801878 0.86 TAAR1 (0.39) HTR2CHTR2BHTR2ATAAR1
SCHEMBL30801851 0.86 HTR2C (0.35) HTR2CHTR2BHTR2A
SCHEMBL30801735 0.84 HTR2A (0.37) HSD11B1OPRD1HTR2CHTR2BHTR2A
SCHEMBL30801765 0.84 KCNJ1 (0.35) HSD11B1HTR2CHTR2BHTR2APANK3
SCHEMBL23574088 0.82 USP30 (0.37) HSD11B1GRIA1GRIA2GRIA3GRIA4
SCHEMBL30801824 0.82 HSD11B1 (0.34) HSD11B1HTR2CHTR2BHTR2A
SCHEMBL30801858 0.77 SLC6A2 (0.40) HSD11B1OPRD1HTR2CHTR2BHTR2A
SCHEMBL30801751 0.74 KCNH2 (0.38) HTR2CHTR2BHTR2A

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
EP-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 — — EP claimed
Send feedback