SCHEMBL19249937

SCHEMBL19249937

CCNC(=O)N1CCCC(NC)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 20/20 0.81

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
SCHEMBL19219920 0.90 HCRTR2 (1.00) HCRTR2
SCHEMBL19220230 0.90 HCRTR2 (1.00) HCRTR2
SCHEMBL19222990 0.88 HCRTR2 (1.00) HCRTR2
SCHEMBL24284024 0.88 HCRTR2 (0.83) HCRTR2
SCHEMBL24044357 0.87 HCRTR2 (0.73) HCRTR2
SCHEMBL24044628 0.87 HCRTR2 (0.73) HCRTR2
SCHEMBL23340572 0.86 HCRTR2 (0.72) HCRTR2
SCHEMBL24284429 0.86 HCRTR2 (0.72) HCRTR2
SCHEMBL31094428 0.86 HCRTR2 (0.72) HCRTR2
SCHEMBL24284431 0.84 HCRTR2 (1.00) HCRTR2

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-2017135306-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-10 — — WO disclosed
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