SCHEMBL19781548

SCHEMBL19781548

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.38
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A3 Q01959 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NCF1 P14598 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23269569 1.00 EPHX1 (0.38) EPHX1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL23269572 0.83 GABRR1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL19781544 0.83 GABRR1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL23269565 0.83 GABRR1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14311906 0.82 SLC6A2 (0.36) EPHX1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL23269930 0.80 EPHX1 (0.37) EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL14311983 0.80 ALDH1A1 (0.38) EPHX1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL23269728 0.79 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1NCF1
SCHEMBL23269566 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL23269568 0.79 SLC6A2 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021076448-A1 SOMATOSTATIN MODULATORS FOR TREATING PITUITARY ADENOMAS Crinetics Pharmaceuticals, Inc. (US) 2021-04-22 — — WO disclosed
WO-2018013676-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2018-01-18 — — WO disclosed
Send feedback