SCHEMBL24676492

SCHEMBL24676492

O=C1CCC(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PLAT P00750 1/20 0.34
SPR P35270 1/20 0.33
IDH1 O75874 1/20 0.33
FABP4 P15090 2/20 0.32
FABP5 Q01469 2/20 0.32
LCAT P04180 2/20 0.32
HCRTR2 O43614 3/20 0.31
HCRTR1 O43613 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
SCHEMBL20271181 0.87 PSEN1 (0.39) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL25164697 0.80 TRPV1 (0.41) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL20270748 0.74 PSEN1 (0.36) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL24924007 0.73 IDH1 (0.36) IDH1HCRTR2HCRTR1
SCHEMBL24677043 0.72 TRPV1 (0.35) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL20270106 0.71 TRPV1 (0.39) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL21314668 0.71 TRPV1 (0.39) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL29754886 0.71 TRPV1 (0.43) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL29754880 0.71 TRPV1 (0.43) TRPV1PSEN1PSEN2APH1BNCSTN
SCHEMBL28102532 0.71 TRPV1 (0.41) TRPV1PSEN1PSEN2APH1BNCSTN

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
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed