SCHEMBL24685258

SCHEMBL24685258

CC(=O)N(CC(F)F)c1ccc(-c2ccc(C(=O)NCCc3cccnc3F)cn2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 9/20 0.46
▸ TRPV1 Q8NER1 1/20 0.39
▸ HIF1A Q16665 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ SCN2A Q99250 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL24975380 0.92 MCHR1 (0.43) P2RX7HTR2CMCHR1SCN2ASCN10A
SCHEMBL24685249 0.92 P2RX7 (0.41) P2RX7TRPV1HIF1AHTR2CMCHR1
SCHEMBL24685259 0.88 P2RX7 (0.42) P2RX7TRPV1HTR2CMCHR1ROCK2
SCHEMBL24975525 0.88 SCN2A (0.49) P2RX7HTR2CMCHR1SCN2ASCN10A
SCHEMBL24684942 0.88 P2RX7 (0.44) P2RX7TRPV1HIF1AHTR2CMCHR1
SCHEMBL24685226 0.87 EIF4E (0.47) P2RX7
SCHEMBL30057801 0.87 EIF4E (0.47) P2RX7
SCHEMBL24976316 0.86 SCN2A (0.41) P2RX7HTR2CMCHR1SCN2ASCN10A
SCHEMBL24975303 0.86 SCN2A (0.41) P2RX7HTR2CMCHR1SCN2ASCN10A
SCHEMBL24976322 0.84 MCHR1 (0.44) HTR2CMCHR1SCN2ASCN10AKCNH2

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-2022241257-A1 NAMPT INHBITORS AND USES THEREOF REMEDY PLAN, INC. (US) 2022-11-17 — — WO disclosed
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