SCHEMBL19225888

SCHEMBL19225888

CC(=O)C(=N)c1ccccc1NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CC1(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 6/20 0.38
▸ NTMT1 Q9BV86 1/20 0.36
▸ PSMB9 P28065 3/20 0.36
▸ FAP Q12884 2/20 0.36
▸ ACE P12821 2/20 0.35
▸ CPA1 P15085 1/20 0.35
▸ CPA2 P48052 1/20 0.35
▸ CPA4 Q9UI42 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ TACR1 P25103 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
SCHEMBL19225882 0.93 CFD (0.40) CFDNTMT1PSMB9FAPACE
SCHEMBL19226053 0.89 CFD (0.41) CFDFAP
SCHEMBL15602024 0.84 CFD (0.47) CFDFAP
SCHEMBL19225861 0.84 CFD (0.47) CFDFAP
SCHEMBL19225829 0.83 CFD (0.41) CFDFAP
SCHEMBL19225827 0.82 CFD (0.40) CFDNTMT1ACEMEN1KMT2A
SCHEMBL15602022 0.82 CFD (0.42) CFDFAP
SCHEMBL15602018 0.80 CFD (0.47) CFDFAP
SCHEMBL19225879 0.80 CFD (0.49) CFD
SCHEMBL19225878 0.80 ELANE (0.33) CFD

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
EP-2867225-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-08-09 — — EP disclosed
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