SCHEMBL27272159

SCHEMBL27272159

NCCCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC=O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 3/20 0.46
▸ CHRNG P07510 3/20 0.46
▸ CHRNB1 P11230 3/20 0.46
▸ CHRND Q07001 3/20 0.46
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ GRIA1 P42261 2/20 0.44
▸ QRFPR Q96P65 3/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ CALCRL Q16602 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ IL23R Q5VWK5 1/20 0.42
▸ GHSR Q92847 1/20 0.42

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
SCHEMBL29313314 0.85 QRFPR (0.49) QRFPRBCL2L1CALCRLIL23RGHSR
SCHEMBL29313281 0.85 QRFPR (0.49) QRFPRBCL2L1CALCRLIL23RGHSR
SCHEMBL27273355 0.84 QRFPR (0.48) QRFPRBCL2L1F2IL23RGHSR
SCHEMBL24158538 0.83 ACE (0.49) —
SCHEMBL27274340 0.81 CTSL (0.50) GHSR
SCHEMBL19234767 0.81 GRIA1 (0.48) GRIA1
SCHEMBL17029467 0.81 ITGB3 (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL24158525 0.80 CHRNB2 (0.44) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL13577582 0.80 OPRD1 (0.52) CALCRL
SCHEMBL25045555 0.80 CTSS (0.51) —

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-2024086826-A2 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-04-25 — — WO disclosed
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