SCHEMBL24869039

SCHEMBL24869039

CNc1cc(F)ccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.44
▸ KCNH2 Q12809 3/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A2 P23975 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL23876095 0.83 RECQL (0.44) RECQLKCNH2HTR2ASLC6A4CYP1A2
SCHEMBL24869050 0.82 RECQL (0.46) RECQLSLC6A2TRPA1LMNACHRM1
SCHEMBL24869052 0.78 RECQL (0.38) RECQLKCNH2HTR2ASLC6A4SLC6A2
SCHEMBL24869044 0.78 RECQL (0.38) RECQLSLC6A4
SCHEMBL26345706 0.77 LMNA (0.39) SLC6A2L3MBTL1TRPA1LMNACHRM1
SCHEMBL24869058 0.76 RECQL (0.52) RECQLL3MBTL1
SCHEMBL2737221 0.76 L3MBTL1 (0.59) RECQLL3MBTL1
SCHEMBL24869066 0.76 RECQL (0.39) RECQLHTR2AADRA1A
SCHEMBL5510041 0.75 ALDH1A1 (0.39) CYP1A2CYP2A6IKBKB
SCHEMBL12197672 0.75 CYP1A2 (0.39) RECQLKCNH2HTR2ASLC6A4SLC6A2

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-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 — — WO disclosed
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