SCHEMBL24005745

SCHEMBL24005745

Cc1cc2cc[nH]c2nc1OCC1COCCN1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.36
▸ ATR Q13535 7/20 0.36
▸ P2RX3 P56373 6/20 0.36
▸ P2RX2 Q9UBL9 6/20 0.36
▸ CD274 Q9NZQ7 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ IL1B P01584 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34
▸ RICTOR Q6R327 1/20 0.34
▸ MAPKAP1 Q9BPZ7 1/20 0.34
▸ MLST8 Q9BVC4 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ EPHA2 P29317 1/20 0.34

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
SCHEMBL25613109 0.86 P2RX3 (0.36) SLC6A4ATRP2RX3P2RX2CD274
SCHEMBL24005764 0.76 PIK3CD (0.33) SLC6A4CHEK1
SCHEMBL25613090 0.72 GRM4 (0.39) —
SCHEMBL25613103 0.71 CHRNA3 (0.42) —
SCHEMBL24005765 0.71 LTA4H (0.48) —
SCHEMBL24005742 0.70 CHRNB4 (0.46) —
SCHEMBL24005759 0.70 FGFR1 (0.39) —
SCHEMBL19172448 0.70 CHRNB2 (0.41) P2RX3P2RX2ERBB2EPHA2
SCHEMBL24005751 0.70 TTK (0.40) —
SCHEMBL25613114 0.70 CHRNB4 (0.46) —

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-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 — — WO disclosed
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