SCHEMBL30801869

SCHEMBL30801869

CC(C)Oc1ccccc1-c1ncc(N2CCN3CCNC[C@@H]3C2=O)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
F10 P00742 1/20 0.35
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34
PDE5A O76074 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
INSR P06213 2/20 0.32
ALK Q9UM73 2/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
S1PR1 P21453 1/20 0.31
DCLK1 O15075 1/20 0.31
MAPK7 Q13164 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL30801756 0.86 SLC6A2 (0.34) HTR2AHTR2CHTR2BTAAR1
SCHEMBL23573959 0.82 F10 (0.34) F10ADRA1DADRA1AADRA1BPDE5A
SCHEMBL30801912 0.82 F10 (0.34) F10ADRA1DADRA1AADRA1BPDE5A
SCHEMBL23573957 0.82 F10 (0.34) F10ADRA1DADRA1AADRA1BPDE5A
SCHEMBL30801768 0.72 HTR2C (0.35) HTR2AHTR2CHTR2BALOX5APFEN1
SCHEMBL30801808 0.72 HTR2C (0.35) HTR2AHTR2CHTR2BALOX5APFEN1
SCHEMBL30801784 0.70
SCHEMBL23574033 0.69 USP30 (0.41)
SCHEMBL23574034 0.69 USP30 (0.41)
SCHEMBL30801791 0.68 USP30 (0.45) TAAR1

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