SCHEMBL21152044

SCHEMBL21152044

CC(C)(CNC(=O)CCC(=O)N1Cc2ccccc2-c2c(nnn2C2(C)CCCCCCCCCCCCCCCC2)-c2ccccc21)COCC(C)(C)Cn1cc(-c2cccc(NC(=O)N3CCC4(CC3)NC(=O)N(c3ccccc3)C4=O)c2)nn1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL24974606 1.00 — —
SCHEMBL24974593 1.00 — —
SCHEMBL24974370 1.00 — —
SCHEMBL24974359 0.98 — —
SCHEMBL24974733 0.78 TACR1 (0.35) —
SCHEMBL24974607 0.76 TACR1 (0.40) —
SCHEMBL24974537 0.70 SMN1; SMN2 (0.33) —
SCHEMBL24974366 0.69 KDM4E (0.42) —
SCHEMBL24974470 0.68 MTNR1A (0.38) —
SCHEMBL24974477 0.65 MTNR1A (0.36) —

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-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 — — WO disclosed
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