SCHEMBL30801876

SCHEMBL30801876

CC(CN1CCN2CCNC[C@@H]2C1=O)c1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.38
▸ DRD3 P35462 4/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ HTR2C P28335 3/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ MRGPRX1 Q96LB2 1/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ ALOX5 P09917 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
SCHEMBL30801792 0.87 HSD11B1 (0.36) HTR2CHTR2BHTR2A
SCHEMBL30801878 0.85 TAAR1 (0.39) HTR2CHTR2BHTR2A
SCHEMBL30801851 0.84 HTR2C (0.35) KCNH2HTR2CHTR2BHTR2A
SCHEMBL23574042 0.84 USP30 (0.36) DRD2DRD3KCNH2TACR1MRGPRX1
SCHEMBL30801858 0.84 SLC6A2 (0.40) SLC6A2SLC6A4HTR2CHTR2BHTR2A
SCHEMBL30801824 0.81 HSD11B1 (0.34) HTR2CHTR2BHTR2A
SCHEMBL30801765 0.79 KCNJ1 (0.35) KCNH2HTR2CHTR2BHTR2A
SCHEMBL30801854 0.78 ZDHHC9 (0.38) KCNH2
SCHEMBL30801735 0.77 HTR2A (0.37) SLC6A2HTR2CHTR2BHTR2A
SCHEMBL30801745 0.75 PAX8 (0.37) DRD2DRD3HTR2CHTR2B

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
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