SCHEMBL19781544

SCHEMBL19781544

CN1CC[C@@H](N)[C@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41

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
SCHEMBL23269565 1.00 GABRR1 (0.44) GABRR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL23269572 1.00 GABRR1 (0.44) GABRR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL23269569 0.83 EPHX1 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL19781548 0.83 EPHX1 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL14569618 0.83 ALDH1A1 (0.46) GABRR1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL12201130 0.80 GABRR1 (0.50) GABRR1ALDH1A1
SCHEMBL13544648 0.79 ALDH1A1 (0.43) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL12904166 0.79 ALDH1A1 (0.43) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL13544642 0.79 ALDH1A1 (0.43) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL23269566 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3

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-2018013676-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2018-01-18 — — WO disclosed
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