SCHEMBL30801884

SCHEMBL30801884

O=C1[C@@H]2CNCCN2CCN1c1cc(-c2ccccc2Oc2ccccc2)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
BRD4 O60885 7/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2A P28223 1/20 0.33
CPT1A P50416 2/20 0.33
CPT2 P23786 1/20 0.33
OTUD7B Q6GQQ9 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKCB P05771 1/20 0.32
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL30801729 1.00 HTR1A (0.34) HTR1ASLC6A2SLC6A4SLC6A3BRD4
SCHEMBL23113619 0.83 USP30 (0.44) BRD4OTUD7BUSP30
SCHEMBL23113620 0.83 USP30 (0.44) BRD4OTUD7BUSP30
SCHEMBL23113645 0.83 USP30 (0.44) BRD4OTUD7BUSP30
SCHEMBL30801756 0.77 SLC6A2 (0.34) HTR1ASLC6A2SLC6A4SLC6A3BRD4
SCHEMBL30801808 0.77 HTR2C (0.35) HTR1ASLC6A2SLC6A4SLC6A3BRD4
SCHEMBL30801768 0.77 HTR2C (0.35) HTR1ASLC6A2SLC6A4SLC6A3BRD4
SCHEMBL30801822 0.74 LTA4H (0.49) HTR2CHTR2BHTR2ATAAR1
SCHEMBL30801891 0.70 NPC1 (0.37) SLC6A2TAAR1
SCHEMBL30801761 0.68 COMT (0.38) HTR1AHTR2CHTR2BHTR2ATAAR1

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