SCHEMBL18597967

SCHEMBL18597967

CC(C)(C)CN1C(=O)CC[C@H]1Cc1ccc(-c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.39
▸ P2RX7 Q99572 10/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ TP53 P04637 3/20 0.33
▸ MDM2 Q00987 3/20 0.33
▸ PER2 O15055 1/20 0.33
▸ ROCK2 O75116 1/20 0.33

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
SCHEMBL14900465 0.82 RORC (0.40) RORCP2RX7PTGER1PTGER4PTGER3
SCHEMBL14902419 0.79 MME (0.38) RORCP2RX7MAPTPTGER1PTGER4
SCHEMBL14900568 0.79 RORC (0.39) RORCP2RX7CXCR3PTGER1PTGER4
SCHEMBL16939237 0.74 CHRM3 (0.36) P2RX7PTGER1PTGER4PTGER3PTGER2
SCHEMBL16930525 0.72 USP30 (0.36) TP53
SCHEMBL16930524 0.72 USP30 (0.36) TP53
SCHEMBL14900588 0.70 RORC (0.39) RORCCXCR3ROCK2
SCHEMBL16939238 0.70 MME (0.36) —
SCHEMBL14902418 0.69 CTSD (0.39) RORCCXCR3TP53MDM2ROCK2
SCHEMBL18800980 0.68 RORC (0.39) RORCCXCR3

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-2773335-B1 OXALIC ACID AMIDES AS NEPRILYSIN INHIBITORS, PHARMACEUTICAL COMPOSITION THEREOF AND PREPARATION THEREOF THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-03-08 — — EP disclosed
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