SCHEMBL18873914

SCHEMBL18873914

COc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(CCNC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ MTNR1B P49286 4/20 0.46
▸ MTNR1A P48039 3/20 0.46
▸ LPAR1 Q92633 5/20 0.46
▸ SIGMAR1 Q99720 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL18874338 0.88 LPAR1 (0.47) POLBLPAR1SIGMAR1
SCHEMBL18873947 0.88 LPAR1 (0.47) POLBLPAR1SIGMAR1
SCHEMBL18874043 0.87 LPAR1 (0.48) POLBLPAR1SIGMAR1
SCHEMBL18874186 0.86 LPAR1 (0.49) POLBLPAR1SIGMAR1
SCHEMBL1561712 0.86 LPAR1 (0.61) MTNR1BMTNR1ALPAR1SIGMAR1
SCHEMBL18874318 0.86 LPAR1 (0.46) POLBLPAR1SIGMAR1
SCHEMBL18874173 0.85 LPAR1 (0.46) POLBLPAR1SIGMAR1
SCHEMBL18873889 0.84 LPAR1 (0.46) POLBLPAR1SIGMAR1ALDH1A1
SCHEMBL18874390 0.80 LPAR1 (0.51) POLBLPAR1SIGMAR1
SCHEMBL18874305 0.80 LPAR1 (0.51) LPAR1SIGMAR1

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-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
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