SCHEMBL30801751

SCHEMBL30801751

CC(C)c1ccc(CN2CCN3CCNC[C@@H]3C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ PKM P14618 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
SCHEMBL30801866 0.83 POLB (0.44) POLBPKM
SCHEMBL30801854 0.76 ZDHHC9 (0.38) KCNH2GRIN2B
SCHEMBL23574126 0.76 UCHL1 (0.41) KCNH2PKM
SCHEMBL23574128 0.76 UCHL1 (0.41) KCNH2PKM
SCHEMBL30801878 0.76 TAAR1 (0.39) HTR2AHTR2CHTR2B
SCHEMBL30801824 0.74 HSD11B1 (0.34) HTR2AHTR2CHTR2B
SCHEMBL30801735 0.74 HTR2A (0.37) HTR2AHTR2CHTR2B
SCHEMBL30801792 0.74 HSD11B1 (0.36) HTR2AHTR2CHTR2B
SCHEMBL23419850 0.73 SMN1; SMN2 (0.43) POLBHTR6PKM
Hydrochloric Acid SCHEMBL3602648 0.72 SIGMAR1 (0.43) HTR2AHTR2CHTR2BPOLBPKM

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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