SCHEMBL24529580

SCHEMBL24529580

CCC(CCC(F)(F)F)NC(=O)N(CC)[C@H](C)c1cccc(-c2cn3ccnc3cc2OC)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 14/20 0.63
▸ CTSA P10619 3/20 0.34
▸ POLQ O75417 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33

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
SCHEMBL27180818 1.00 HCRTR2 (0.63) HCRTR2CTSAPOLQPSEN1PSEN2
SCHEMBL27180820 1.00 HCRTR2 (0.63) HCRTR2CTSAPOLQPSEN1PSEN2
SCHEMBL27181350 0.90 HCRTR2 (0.66) HCRTR2
SCHEMBL24529299 0.90 HCRTR2 (0.66) HCRTR2
SCHEMBL24529442 0.90 HCRTR2 (0.62) HCRTR2
SCHEMBL27181217 0.90 HCRTR2 (0.62) HCRTR2
SCHEMBL27181215 0.90 HCRTR2 (0.62) HCRTR2
SCHEMBL24529269 0.90 HCRTR2 (0.65) HCRTR2
SCHEMBL29723498 0.90 HCRTR2 (0.65) HCRTR2
SCHEMBL27180875 0.90 HCRTR2 (0.65) HCRTR2

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-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
Send feedback