SCHEMBL2028810

SCHEMBL2028810

C[C@H](C(=O)O)n1c(=O)n2c3c(c(Cl)ccc31)NC(=O)C2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL260759 1.00 PTGDR2 (0.32) PTGDR2
SCHEMBL259895 0.78 CALCRL (0.42) —
SCHEMBL260186 0.75 — —
SCHEMBL259828 0.66 CALCRL (0.42) —
SCHEMBL12580792 0.63 AHR (0.36) —
SCHEMBL18180382 0.62 KMT2A (0.45) —
SCHEMBL3104074 0.61 NOTUM (0.44) PTGDR2
SCHEMBL11397353 0.59 ALDH1A1 (0.41) PTGDR2
SCHEMBL7862920 0.59 ALDH1A1 (0.42) —
SCHEMBL7336986 0.57 KDM4E (0.45) —

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
US-7968540-B2 Spirohydantoin tricyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-06-28 — — US disclosed
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