SCHEMBL30973508

SCHEMBL30973508

Oc1c(I)ccc2c1CCO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PRKCI P41743 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ALOX5 P09917 1/20 0.32
MTNR1B P49286 6/20 0.31
MTNR1A P48039 5/20 0.31
KIF11 P52732 1/20 0.31
ERN1 O75460 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ABCB11 O95342 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
USP2 O75604 1/20 0.30
ITGB2 P05107 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
SCHEMBL10158533 0.76 HTR2C (0.35) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL30754266 0.76 MTNR1B (0.35) MAOAMAOBPRKCIHTR2AHTR2C
SCHEMBL5546117 0.76 MAOA (0.46) MAOAMAOBPRKCIHTR2AHTR2C
SCHEMBL1764937 0.76 MTNR1B (0.35) MAOAMAOBPRKCIHTR2AHTR2C
SCHEMBL3988579 0.72 GABRA1 (0.41) HTR2AHTR2CHTR2BMTNR1BMTNR1A
SCHEMBL30951346 0.72 NLRP3 (0.38) MAOAMAOB
SCHEMBL2830923 0.71 ITGB2 (0.42) MTNR1BMTNR1AKIF11MEN1KMT2A
SCHEMBL21834717 0.68 MTNR1B (0.34) MAOAMAOBMTNR1BMTNR1AABCB11
SCHEMBL5506295 0.68 MAOA (0.46) MAOAMAOBPRKCIHTR2AHTR2C
SCHEMBL3716928 0.68 ALOX5 (0.39) MAOAMAOBPRKCIHTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed