SCHEMBL22694922

SCHEMBL22694922

CC(C)C(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.37
▸ PTGS1 P23219 4/20 0.35
▸ PTGS2 P35354 4/20 0.35
▸ NPY4R P50391 4/20 0.35
▸ NPY5R Q15761 4/20 0.35
▸ NPY1R P25929 3/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ FURIN P09958 1/20 0.32

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
SCHEMBL22267878 1.00 FAP (0.37) FAPPTGS1PTGS2NPY4RNPY5R
SCHEMBL18909025 1.00 FAP (0.37) FAPPTGS1PTGS2NPY4RNPY5R
SCHEMBL20935173 0.94 ELANE (0.34) FAPNPY4RNPY5RNPY1RNPY2R
SCHEMBL20340684 0.92 FAP (0.37) FAPPTGS1PTGS2NPY4RNPY5R
SCHEMBL19170705 0.91 PTGS1 (0.34) FAPPTGS1PTGS2ELANEFURIN
SCHEMBL19681474 0.91 NPY5R (0.39) FAPPTGS1PTGS2NPY4RNPY5R
SCHEMBL29308956 0.91 NPY5R (0.40) FAPPTGS1PTGS2NPY4RNPY5R
SCHEMBL23436443 0.91 FAP (0.34) FAPPTGS1PTGS2NPY4RNPY5R
SCHEMBL22668644 0.91 FAP (0.34) FAPPTGS1PTGS2NPY4RNPY5R
SCHEMBL23420959 0.90 FAP (0.37) FAPPTGS1PTGS2NPY4RNPY5R

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-2020236795-A2 TRISPECIFIC BINDING MOLECULES AGAINST BCMA AND USES THEREOF NOVARTIS AG (CH) 2020-11-26 — — WO disclosed
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