SCHEMBL20450152

SCHEMBL20450152

OC(CN1CCCS1)Cn1c2cccc(F)c2c2c(F)cccc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRY1 Q16526 16/20 0.60
▸ CRY2 Q49AN0 16/20 0.60
▸ PER2 O15055 14/20 0.60
▸ POLB P06746 1/20 0.40
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL20450192 0.96 PER2 (0.61) CRY1CRY2PER2POLBBACE1
SCHEMBL20450194 0.88 CRY2 (0.66) CRY1CRY2PER2
SCHEMBL20450168 0.88 CRY2 (0.66) CRY1CRY2PER2
SCHEMBL20450184 0.85 CRY2 (0.67) CRY1CRY2PER2
SCHEMBL20450198 0.85 CRY2 (0.67) CRY1CRY2PER2
SCHEMBL20450183 0.81 BACE1 (0.63) CRY1CRY2PER2POLBBACE1
SCHEMBL15530620 0.81 BACE1 (0.63) CRY1CRY2PER2POLBBACE1
SCHEMBL15530023 0.81 BACE1 (0.63) CRY1CRY2PER2POLBBACE1
SCHEMBL20450177 0.77 POLB (0.63) CRY1CRY2PER2POLBBACE1
SCHEMBL20450206 0.77 POLB (0.63) CRY1CRY2PER2POLBBACE1

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-2855458-B1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS RESET THERAPEUTICS INC (US) 2018-08-08 — — EP claimed
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