SCHEMBL27142188

SCHEMBL27142188

COC1(c2ccnc(F)c2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.36
BACE1 P56817 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
OPRM1 P35372 2/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL27145574 0.84 BACE1 (0.33) ALOX5BACE1LOXL2
SCHEMBL27139250 0.82 ALOX5 (0.41) ALOX5BACE1LOXL2OPRM1
SCHEMBL27144945 0.82 BACE1 (0.34) BACE1LOXL2
SCHEMBL27153212 0.81 BACE1 (0.33) BACE1LOXL2TAS1R3TAS1R1TAS1R2
SCHEMBL27141779 0.81 BACE1 (0.33) BACE1LOXL2TAS1R3TAS1R1TAS1R2
SCHEMBL26876154 0.80 ALOX5 (0.46) ALOX5PTGS1PTGS2
SCHEMBL27142259 0.75 LOXL2 (0.37) BACE1LOXL2TAS1R3TAS1R1TAS1R2
SCHEMBL27907651 0.74 OPRM1 (0.38) ALOX5KDM4EHTTHSD17B10OPRM1
SCHEMBL30848052 0.74 LOXL2 (0.40) BACE1LOXL2TAS1R3TAS1R1TAS1R2
SCHEMBL16198445 0.74 LOXL2 (0.40) BACE1LOXL2TAS1R3TAS1R1TAS1R2

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
WO-2024044730-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed